 Entering Gaussian System, Link 0=g16
 Input=25_methylisochromane_Chair_STD_wB97XD-augccpVDZr.in
 Output=25_methylisochromane_Chair_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/25_methylisochromane_Chair_STD/Gau-13480.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/25_methylisochromane_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     13482.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=25_methylisochromane_Chair_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 23:05:26 2021, MaxMem= 10737418240 cpu:               2.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "25_methylisochromane_Chair_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.475896000000      1.063550000000     -0.098164000000
  C                                                 2.818875000000     -0.266215000000      0.119370000000
  C                                                 1.142334000000      1.417940000000     -0.238522000000
  C                                                 0.125866000000      0.463720000000     -0.164411000000
  C                                                 0.479308000000     -0.873519000000      0.040878000000
  C                                                 1.819829000000     -1.224692000000      0.185806000000
  C                                                -1.334336000000      0.847139000000     -0.328494000000
  C                                                -2.230548000000     -0.293378000000      0.146590000000
  O                                                -1.828910000000     -1.535993000000     -0.399339000000
  C                                                -0.581007000000     -1.944665000000      0.122977000000
  H                                                 3.245503000000      1.822195000000     -0.159561000000
  H                                                 3.856711000000     -0.553358000000      0.228132000000
  H                                                 0.889253000000      2.456036000000     -0.408732000000
  H                                                 2.081007000000     -2.265247000000      0.343936000000
  H                                                -1.525132000000      0.979693000000     -1.399895000000
  C                                                -1.715470000000      2.141812000000      0.391759000000
  H                                                -3.260415000000     -0.130838000000     -0.172010000000
  H                                                -2.217846000000     -0.344198000000      1.246196000000
  H                                                -0.278754000000     -2.821206000000     -0.451456000000
  H                                                -0.704522000000     -2.261367000000      1.170694000000
  H                                                -1.478710000000      2.079067000000      1.455920000000
  H                                                -2.786635000000      2.330893000000      0.291531000000
  H                                                -1.193667000000      3.006125000000     -0.016779000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     23 NQM=       23 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 23:05:27 2021, MaxMem= 10737418240 cpu:               4.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.475896    1.063550   -0.098164
      2          6           0        2.818875   -0.266215    0.119370
      3          6           0        1.142334    1.417940   -0.238522
      4          6           0        0.125866    0.463720   -0.164411
      5          6           0        0.479308   -0.873519    0.040878
      6          6           0        1.819829   -1.224692    0.185806
      7          6           0       -1.334336    0.847139   -0.328494
      8          6           0       -2.230548   -0.293378    0.146590
      9          8           0       -1.828910   -1.535993   -0.399339
     10          6           0       -0.581007   -1.944665    0.122977
     11          1           0        3.245503    1.822195   -0.159561
     12          1           0        3.856711   -0.553358    0.228132
     13          1           0        0.889253    2.456036   -0.408732
     14          1           0        2.081007   -2.265247    0.343936
     15          1           0       -1.525132    0.979693   -1.399895
     16          6           0       -1.715470    2.141812    0.391759
     17          1           0       -3.260415   -0.130838   -0.172010
     18          1           0       -2.217846   -0.344198    1.246196
     19          1           0       -0.278754   -2.821206   -0.451456
     20          1           0       -0.704522   -2.261367    1.170694
     21          1           0       -1.478710    2.079067    1.455920
     22          1           0       -2.786635    2.330893    0.291531
     23          1           0       -1.193667    3.006125   -0.016779
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.390407   0.000000
     3  C    1.386968   2.403176   0.000000
     4  C    2.426278   2.804574   1.396150   0.000000
     5  C    2.785307   2.418378   2.401760   1.398311   0.000000
     6  C    2.397314   1.386068   2.760898   2.417209   1.393314
     7  C    3.823317   4.323112   2.543188   1.518593   2.527134
     8  C    4.904261   5.049569   3.801743   2.494515   2.773276
     9  O    5.037825   4.845957   4.192836   2.806277   2.441420
    10  C    4.294522   3.791623   3.795747   2.526377   1.509424
    11  H    1.082408   2.149714   2.143123   3.402589   3.867672
    12  H    2.151165   1.082305   3.386979   3.886868   3.397708
    13  H    2.133754   3.378311   1.081973   2.147504   3.384692
    14  H    3.381165   2.142664   3.845287   3.395328   2.143406
    15  H    4.208297   4.767688   2.942146   2.125663   3.086746
    16  C    4.355482   5.141311   3.014679   2.552614   3.745983
    17  H    5.859802   6.087774   4.667691   3.438089   3.818694
    18  H    5.081365   5.161819   4.074350   2.852285   3.001268
    19  H    4.775379   4.055752   4.476069   3.322176   2.147216
    20  H    4.772854   4.183329   4.351329   3.146132   2.145707
    21  H    4.368679   5.075032   3.190313   2.794545   3.814963
    22  H    5.426993   6.180320   4.068321   3.489539   4.582299
    23  H    4.152820   5.179502   2.833444   2.868237   4.225377
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.808641   0.000000
     8  C    4.156253   1.526329   0.000000
     9  O    3.708450   2.434942   1.415431   0.000000
    10  C    2.507254   2.926688   2.334158   1.413184   0.000000
    11  H    3.381619   4.685531   5.878479   6.089712   5.376917
    12  H    2.145080   5.405386   6.093354   5.803928   4.651896
    13  H    3.842812   2.745785   4.195333   4.829575   4.670176
    14  H    1.084423   4.669441   4.745179   4.046198   2.690337
    15  H    4.308425   1.096300   2.123661   2.724348   3.429633
    16  C    4.886113   1.529773   2.501112   3.763636   4.249535
    17  H    5.208976   2.165804   1.090207   2.018749   3.249033
    18  H    4.266441   2.163220   1.100853   2.068679   2.549972
    19  H    2.712750   3.819179   3.249165   2.014317   1.090713
    20  H    2.901215   3.508139   2.692680   2.062867   1.101484
    21  H    4.838220   2.173160   2.812135   4.078392   4.332785
    22  H    5.820041   2.166825   2.686455   4.043185   4.813897
    23  H    5.198270   2.185904   3.462446   4.602252   4.990512
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.483371   0.000000
    13  H    2.452704   4.274091   0.000000
    14  H    4.279806   2.469230   4.927200   0.000000
    15  H    5.000720   5.827946   2.998541   5.155077   0.000000
    16  C    5.001736   6.191923   2.743010   5.817018   2.144009
    17  H    6.792751   7.140877   4.895682   5.775179   2.398372
    18  H    6.042979   6.162828   4.498240   4.794230   3.038805
    19  H    5.836674   4.765191   5.405122   2.551511   4.110940
    20  H    5.835045   4.960904   5.223849   2.905635   4.217321
    21  H    4.999395   6.074853   3.037479   5.725483   3.060467
    22  H    6.070333   7.242718   3.744086   6.694863   2.505604
    23  H    4.596554   6.183544   2.189699   6.216186   2.475743
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.805286   0.000000
    18  H    2.676320   1.773071   0.000000
    19  H    5.235142   4.025726   3.574587   0.000000
    20  H    4.584402   3.588119   2.443642   1.768069   0.000000
    21  H    1.091985   3.272355   2.542149   5.393575   4.418154
    22  H    1.092333   2.549403   2.896725   5.778029   5.118298
    23  H    1.089137   3.759798   3.724072   5.914710   5.421792
                   21         22         23
    21  H    0.000000
    22  H    1.769148   0.000000
    23  H    1.763385   1.757424   0.000000
 Stoichiometry    C10H12O
 Framework group  C1[X(C10H12O)]
 Deg. of freedom    63
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.475896    1.063550   -0.098164
      2          6           0        2.818875   -0.266215    0.119370
      3          6           0        1.142334    1.417940   -0.238522
      4          6           0        0.125866    0.463720   -0.164411
      5          6           0        0.479308   -0.873519    0.040878
      6          6           0        1.819829   -1.224692    0.185806
      7          6           0       -1.334336    0.847139   -0.328494
      8          6           0       -2.230548   -0.293378    0.146590
      9          8           0       -1.828910   -1.535993   -0.399339
     10          6           0       -0.581007   -1.944665    0.122977
     11          1           0        3.245503    1.822195   -0.159561
     12          1           0        3.856711   -0.553358    0.228132
     13          1           0        0.889253    2.456036   -0.408732
     14          1           0        2.081007   -2.265247    0.343936
     15          1           0       -1.525132    0.979693   -1.399895
     16          6           0       -1.715470    2.141812    0.391759
     17          1           0       -3.260415   -0.130838   -0.172010
     18          1           0       -2.217846   -0.344198    1.246196
     19          1           0       -0.278754   -2.821206   -0.451456
     20          1           0       -0.704522   -2.261367    1.170694
     21          1           0       -1.478710    2.079067    1.455920
     22          1           0       -2.786635    2.330893    0.291531
     23          1           0       -1.193667    3.006125   -0.016779
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.8103692           1.0572860           0.6960413
 Leave Link  202 at Thu Jul  8 23:05:27 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     17     18     19     20     21
 Centers:      22     23
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     16
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 404 were deleted.
 There are   383 symmetry adapted cartesian basis functions of A   symmetry.
 There are   361 symmetry adapted basis functions of A   symmetry.
   361 basis functions,   661 primitive gaussians,   383 cartesian basis functions
    40 alpha electrons       40 beta electrons
       nuclear repulsion energy       605.7646973284 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   23 NActive=   23 NUniq=   23 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0149645486 Hartrees.
 Nuclear repulsion after empirical dispersion term =      605.7497327798 Hartrees.
 Leave Link  301 at Thu Jul  8 23:05:30 2021, MaxMem= 10737418240 cpu:              34.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   361 RedAO= T EigKep=  1.12D-06  NBF=   361
 NBsUse=   361 1.00D-06 EigRej= -1.00D+00 NBFU=   361
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   383   383   383   383   383 MxSgAt=    23 MxSgA2=    23.
 Leave Link  302 at Thu Jul  8 23:05:31 2021, MaxMem= 10737418240 cpu:               9.5 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 23:05:31 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "25_methylisochromane_Chair_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 23:05:32 2021, MaxMem= 10737418240 cpu:              10.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737115031 LenY= 10736967901
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -463.408748911105    
 DIIS: error= 2.21D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -463.408748911105     IErMin= 1 ErrMin= 2.21D-03
 ErrMax= 2.21D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.45D-03 BMatP= 5.45D-03
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.21D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.370 Goal=   None    Shift=    0.000
 GapD=    0.370 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.50D-02 MaxDP=4.38D+00              OVMax= 1.18D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.12D-02    CP:  1.27D+00
 E= -463.413053838587     Delta-E=       -0.004304927482 Rises=F Damp=F
 DIIS: error= 2.47D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -463.413053838587     IErMin= 2 ErrMin= 2.47D-04
 ErrMax= 2.47D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-04 BMatP= 5.45D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.47D-03
 Coeff-Com: -0.275D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.274D-01 0.103D+01
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=8.35D-03 MaxDP=6.73D-01 DE=-4.30D-03 OVMax= 4.50D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.89D-03    CP:  1.32D+00  1.14D+00
 E= -463.413143622125     Delta-E=       -0.000089783538 Rises=F Damp=F
 DIIS: error= 2.83D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -463.413143622125     IErMin= 2 ErrMin= 2.47D-04
 ErrMax= 2.83D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-04 BMatP= 1.18D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.83D-03
 Coeff-Com: -0.364D-01 0.510D+00 0.526D+00
 Coeff-En:   0.000D+00 0.646D-01 0.935D+00
 Coeff:     -0.363D-01 0.509D+00 0.527D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=6.45D-04 MaxDP=5.00D-02 DE=-8.98D-05 OVMax= 1.91D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.21D-04    CP:  1.33D+00  1.15D+00  1.10D+00
 E= -463.413217213718     Delta-E=       -0.000073591593 Rises=F Damp=F
 DIIS: error= 4.01D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -463.413217213718     IErMin= 4 ErrMin= 4.01D-05
 ErrMax= 4.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-06 BMatP= 1.05D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.277D-02-0.261D-01 0.107D+00 0.922D+00
 Coeff:     -0.277D-02-0.261D-01 0.107D+00 0.922D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=3.30D-04 MaxDP=2.35D-02 DE=-7.36D-05 OVMax= 6.57D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.27D-05    CP:  1.33D+00  1.15D+00  1.18D+00  1.52D+00
 E= -463.413220636674     Delta-E=       -0.000003422956 Rises=F Damp=F
 DIIS: error= 1.25D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -463.413220636674     IErMin= 5 ErrMin= 1.25D-05
 ErrMax= 1.25D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-07 BMatP= 2.86D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.179D-02-0.423D-01-0.113D-01 0.223D+00 0.829D+00
 Coeff:      0.179D-02-0.423D-01-0.113D-01 0.223D+00 0.829D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=4.28D-05 MaxDP=1.79D-03 DE=-3.42D-06 OVMax= 1.83D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.49D-05    CP:  1.33D+00  1.15D+00  1.19D+00  1.63D+00  1.24D+00
 E= -463.413220903569     Delta-E=       -0.000000266895 Rises=F Damp=F
 DIIS: error= 6.59D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -463.413220903569     IErMin= 6 ErrMin= 6.59D-06
 ErrMax= 6.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.07D-08 BMatP= 1.86D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.805D-03-0.127D-01-0.106D-01 0.136D-01 0.313D+00 0.695D+00
 Coeff:      0.805D-03-0.127D-01-0.106D-01 0.136D-01 0.313D+00 0.695D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=1.80D-05 MaxDP=1.38D-03 DE=-2.67D-07 OVMax= 7.89D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.36D-06    CP:  1.33D+00  1.15D+00  1.19D+00  1.66D+00  1.31D+00
                    CP:  1.09D+00
 E= -463.413220943439     Delta-E=       -0.000000039870 Rises=F Damp=F
 DIIS: error= 1.65D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -463.413220943439     IErMin= 7 ErrMin= 1.65D-06
 ErrMax= 1.65D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.32D-09 BMatP= 3.07D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.664D-04 0.867D-03-0.167D-02-0.237D-01-0.363D-02 0.223D+00
 Coeff-Com:  0.805D+00
 Coeff:      0.664D-04 0.867D-03-0.167D-02-0.237D-01-0.363D-02 0.223D+00
 Coeff:      0.805D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=9.89D-06 MaxDP=7.85D-04 DE=-3.99D-08 OVMax= 2.79D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.63D-06    CP:  1.33D+00  1.15D+00  1.19D+00  1.67D+00  1.32D+00
                    CP:  1.16D+00  1.05D+00
 E= -463.413220948505     Delta-E=       -0.000000005066 Rises=F Damp=F
 DIIS: error= 5.35D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -463.413220948505     IErMin= 8 ErrMin= 5.35D-07
 ErrMax= 5.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.91D-10 BMatP= 3.32D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.887D-04 0.204D-02 0.968D-03-0.116D-01-0.465D-01-0.833D-02
 Coeff-Com:  0.316D+00 0.748D+00
 Coeff:     -0.887D-04 0.204D-02 0.968D-03-0.116D-01-0.465D-01-0.833D-02
 Coeff:      0.316D+00 0.748D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=2.68D-06 MaxDP=1.89D-04 DE=-5.07D-09 OVMax= 1.11D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.41D-07    CP:  1.33D+00  1.15D+00  1.19D+00  1.67D+00  1.33D+00
                    CP:  1.17D+00  1.11D+00  1.07D+00
 E= -463.413220949289     Delta-E=       -0.000000000784 Rises=F Damp=F
 DIIS: error= 1.20D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -463.413220949289     IErMin= 9 ErrMin= 1.20D-07
 ErrMax= 1.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.07D-11 BMatP= 4.91D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.218D-04 0.371D-03 0.316D-03-0.104D-02-0.988D-02-0.156D-01
 Coeff-Com:  0.114D-01 0.170D+00 0.845D+00
 Coeff:     -0.218D-04 0.371D-03 0.316D-03-0.104D-02-0.988D-02-0.156D-01
 Coeff:      0.114D-01 0.170D+00 0.845D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=4.85D-07 MaxDP=2.79D-05 DE=-7.84D-10 OVMax= 3.01D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.20D-07    CP:  1.33D+00  1.15D+00  1.19D+00  1.67D+00  1.33D+00
                    CP:  1.17D+00  1.10D+00  1.13D+00  9.85D-01
 E= -463.413220949288     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 4.75D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -463.413220949289     IErMin=10 ErrMin= 4.75D-08
 ErrMax= 4.75D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.90D-12 BMatP= 2.07D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.181D-05-0.102D-03 0.101D-04 0.114D-02 0.204D-02-0.477D-02
 Coeff-Com: -0.357D-01-0.265D-01 0.322D+00 0.742D+00
 Coeff:      0.181D-05-0.102D-03 0.101D-04 0.114D-02 0.204D-02-0.477D-02
 Coeff:     -0.357D-01-0.265D-01 0.322D+00 0.742D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=3.14D-07 MaxDP=2.32D-05 DE= 1.14D-12 OVMax= 1.10D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.93D-08    CP:  1.33D+00  1.15D+00  1.19D+00  1.67D+00  1.33D+00
                    CP:  1.16D+00  1.10D+00  1.14D+00  1.01D+00  1.08D+00
 E= -463.413220949311     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 1.42D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -463.413220949311     IErMin=11 ErrMin= 1.42D-08
 ErrMax= 1.42D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-13 BMatP= 3.90D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.259D-05-0.619D-04-0.332D-04 0.408D-03 0.140D-02 0.219D-03
 Coeff-Com: -0.999D-02-0.236D-01 0.257D-03 0.198D+00 0.833D+00
 Coeff:      0.259D-05-0.619D-04-0.332D-04 0.408D-03 0.140D-02 0.219D-03
 Coeff:     -0.999D-02-0.236D-01 0.257D-03 0.198D+00 0.833D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=8.51D-08 MaxDP=5.85D-06 DE=-2.27D-11 OVMax= 3.73D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.49D-08    CP:  1.33D+00  1.15D+00  1.19D+00  1.67D+00  1.33D+00
                    CP:  1.16D+00  1.10D+00  1.14D+00  1.00D+00  1.18D+00
                    CP:  1.08D+00
 E= -463.413220949319     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 8.36D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -463.413220949319     IErMin=12 ErrMin= 8.36D-09
 ErrMax= 8.36D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.32D-14 BMatP= 2.79D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.758D-06-0.133D-04-0.154D-04 0.411D-04 0.308D-03 0.590D-03
 Coeff-Com: -0.103D-03-0.649D-02-0.320D-01 0.813D-02 0.346D+00 0.684D+00
 Coeff:      0.758D-06-0.133D-04-0.154D-04 0.411D-04 0.308D-03 0.590D-03
 Coeff:     -0.103D-03-0.649D-02-0.320D-01 0.813D-02 0.346D+00 0.684D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=1.12D-08 MaxDP=7.17D-07 DE=-8.41D-12 OVMax= 1.47D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.19D-09    CP:  1.33D+00  1.15D+00  1.19D+00  1.67D+00  1.33D+00
                    CP:  1.16D+00  1.10D+00  1.14D+00  1.00D+00  1.19D+00
                    CP:  1.13D+00  9.88D-01
 E= -463.413220949228     Delta-E=        0.000000000091 Rises=F Damp=F
 DIIS: error= 1.93D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -463.413220949319     IErMin=13 ErrMin= 1.93D-09
 ErrMax= 1.93D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.73D-15 BMatP= 5.32D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.242D-06 0.743D-05 0.139D-05-0.598D-04-0.166D-03 0.135D-03
 Coeff-Com:  0.177D-02 0.224D-02-0.102D-01-0.336D-01-0.511D-01 0.179D+00
 Coeff-Com:  0.912D+00
 Coeff:     -0.242D-06 0.743D-05 0.139D-05-0.598D-04-0.166D-03 0.135D-03
 Coeff:      0.177D-02 0.224D-02-0.102D-01-0.336D-01-0.511D-01 0.179D+00
 Coeff:      0.912D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=4.85D-09 MaxDP=3.56D-07 DE= 9.14D-11 OVMax= 5.76D-08

 SCF Done:  E(RwB97XD) =  -463.413220949     A.U. after   13 cycles
            NFock= 13  Conv=0.49D-08     -V/T= 2.0060
 KE= 4.606352354623D+02 PE=-2.288289221454D+03 EE= 7.584910322624D+02
 Leave Link  502 at Thu Jul  8 23:09:52 2021, MaxMem= 10737418240 cpu:            4144.4 elap:             259.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   361
 NBasis=   361 NAE=    40 NBE=    40 NFC=     0 NFV=     0
 NROrb=    361 NOA=    40 NOB=    40 NVA=   321 NVB=   321

 **** Warning!!: The largest alpha MO coefficient is  0.15348391D+03

 Leave Link  801 at Thu Jul  8 23:09:53 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7107 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          23
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.14D-13 8.33D-09 XBig12= 1.00D+00 2.84D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.14D-13 8.33D-09 XBig12= 1.93D-01 5.47D-02.
     11 vectors produced by pass  2 Test12= 2.14D-13 8.33D-09 XBig12= 3.86D-02 4.77D-02.
     11 vectors produced by pass  3 Test12= 2.14D-13 8.33D-09 XBig12= 2.92D-03 1.06D-02.
     11 vectors produced by pass  4 Test12= 2.14D-13 8.33D-09 XBig12= 4.10D-04 4.00D-03.
     11 vectors produced by pass  5 Test12= 2.14D-13 8.33D-09 XBig12= 2.95D-05 7.93D-04.
     11 vectors produced by pass  6 Test12= 2.14D-13 8.33D-09 XBig12= 1.22D-06 1.30D-04.
     11 vectors produced by pass  7 Test12= 2.14D-13 8.33D-09 XBig12= 3.89D-08 2.79D-05.
     11 vectors produced by pass  8 Test12= 2.14D-13 8.33D-09 XBig12= 8.71D-10 5.05D-06.
     11 vectors produced by pass  9 Test12= 2.14D-13 8.33D-09 XBig12= 1.88D-11 7.61D-07.
      8 vectors produced by pass 10 Test12= 2.14D-13 8.33D-09 XBig12= 3.62D-13 1.32D-07.
      2 vectors produced by pass 11 Test12= 2.14D-13 8.33D-09 XBig12= 2.14D-14 1.78D-08.
      1 vectors produced by pass 12 Test12= 2.14D-13 8.33D-09 XBig12= 5.89D-15 1.06D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.149969D+03
      2 -0.257358D+01  0.133492D+03
      3  0.815447D+00 -0.457888D+01  0.848289D+02
 Isotropic polarizability for W=    0.085645      122.76 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.133817D+03  0.644811D+01 -0.618630D+01
      2  -0.724843D+02  0.200936D+02 -0.135038D+02
      3  -0.613323D+02 -0.265417D+02  0.196901D+02
      4   0.566832D+02  0.638268D+02 -0.180376D+02
      5   0.162743D+02 -0.185813D+02 -0.747376D+01
      6  -0.483445D+01  0.122516D+02  0.202496D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.454775D+01  0.208965D+00 -0.122571D+02
      2   0.559065D+01 -0.121279D+02 -0.583979D+00
      3   0.791579D+01 -0.472653D+02  0.931254D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.543638D+00  0.257554D+02 -0.467912D+02
      2  -0.224606D+02 -0.132032D+02  0.538585D+02
      3   0.502351D+02 -0.136311D+03  0.137468D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.154358D+01 -0.103806D+01  0.151581D+01
      2  -0.103806D+01  0.362935D+01  0.165574D+01
      3   0.151581D+01  0.165574D+01 -0.353364D+00
 OR G Eigenvalues:    -3.0675     0.5314     4.2686  Iso=    -0.5775
 Eigenvectors:
   (1)   0.764604   0.263895  -0.587998
   (2)   0.638442  -0.185324   0.747025
   (3)  -0.088166   0.946580   0.310181
 w=    0.085645 a.u., Optical Rotation Beta=     -0.5775 au.
 Molar Mass =    148.2042 grams/mole, [Alpha] ( 5320.0 A) =     -184.80 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   65341 ScalPx= 2.33D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   65341 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.30D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.57D-14 2.78D-09 XBig12= 1.00D+00 3.03D-01.
     30 vectors produced by pass  1 Test12= 3.57D-14 2.78D-09 XBig12= 4.48D-02 2.58D-02.
     30 vectors produced by pass  2 Test12= 3.57D-14 2.78D-09 XBig12= 1.92D-03 6.15D-03.
     30 vectors produced by pass  3 Test12= 3.57D-14 2.78D-09 XBig12= 2.78D-05 5.41D-04.
     30 vectors produced by pass  4 Test12= 3.57D-14 2.78D-09 XBig12= 5.71D-07 9.79D-05.
     30 vectors produced by pass  5 Test12= 3.57D-14 2.78D-09 XBig12= 9.66D-09 1.01D-05.
     30 vectors produced by pass  6 Test12= 3.57D-14 2.78D-09 XBig12= 1.13D-10 1.17D-06.
     30 vectors produced by pass  7 Test12= 3.57D-14 2.78D-09 XBig12= 9.59D-13 8.09D-08.
     12 vectors produced by pass  8 Test12= 3.57D-14 2.78D-09 XBig12= 9.70D-15 9.59D-09.
      5 vectors produced by pass  9 Test12= 3.57D-14 2.78D-09 XBig12= 2.84D-15 5.48D-09.
      1 vectors produced by pass 10 Test12= 3.57D-14 2.78D-09 XBig12= 9.20D-16 3.39D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   258 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   65341 ScalPx= 4.84D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   65341 ScalPx= 4.84D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   65341 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.54D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149969D+03 -0.257358D+01  0.815447D+00
      2  -0.257358D+01  0.133492D+03 -0.457888D+01
      3   0.815447D+00 -0.457888D+01  0.848289D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.454775D+01  0.208965D+00 -0.122571D+02
      2   0.559065D+01 -0.121279D+02 -0.583979D+00
      3   0.791579D+01 -0.472653D+02  0.931254D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.133817D+03  0.644811D+01 -0.618630D+01
      2  -0.724843D+02  0.200936D+02 -0.135038D+02
      3  -0.613323D+02 -0.265417D+02  0.196901D+02
      4   0.566832D+02  0.638268D+02 -0.180376D+02
      5   0.162743D+02 -0.185813D+02 -0.747376D+01
      6  -0.483445D+01  0.122516D+02  0.202496D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.150887D+01  0.199364D+01 -0.678503D+00  0.545032D+01 -0.599813D+00
      2   0.199364D+01  0.237116D+01 -0.226331D+00 -0.599813D+00  0.261222D+01
      3  -0.678503D+00 -0.226331D+00  0.216254D+01  0.935114D+00  0.429490D+00
                 6             7             8             9            10 
      1   0.935114D+00 -0.129825D+01  0.578912D+00  0.407226D+01  0.583252D+01
      2   0.429490D+00  0.578912D+00  0.728221D+00  0.335222D+01 -0.116383D+01
      3   0.240835D+01  0.407226D+01  0.335222D+01 -0.877625D+00 -0.238580D+00
                11            12            13            14            15 
      1  -0.116383D+01 -0.238580D+00 -0.204281D+01 -0.195919D+01  0.937693D+00
      2   0.282206D+01  0.618918D-01 -0.195919D+01 -0.271063D+01  0.272569D-01
      3   0.618918D-01  0.291424D+01  0.937693D+00  0.272569D-01 -0.998883D+00
                16            17            18            19            20 
      1   0.208793D-02  0.101858D+01  0.539793D+01  0.829254D+00 -0.499615D+01
      2   0.101858D+01  0.325887D+00 -0.128715D+01 -0.499615D+01 -0.117798D+01
      3   0.539793D+01 -0.128715D+01  0.117928D+01  0.655088D+00 -0.241043D+00
                21            22            23            24            25 
      1   0.655088D+00  0.482968D+01 -0.121903D+01  0.105968D+00 -0.121932D+00
      2  -0.241043D+00 -0.121903D+01  0.270751D+01  0.539315D+00 -0.281649D+00
      3  -0.103215D+01  0.105968D+00  0.539315D+00  0.195979D+01 -0.130235D+00
                26            27            28            29            30 
      1  -0.281649D+00 -0.130235D+00 -0.130296D+02  0.466637D+01 -0.143009D+01
      2   0.424369D+00  0.369157D+01  0.466637D+01 -0.476246D+01  0.707546D+00
      3   0.369157D+01 -0.174481D+01 -0.143009D+01  0.707546D+00 -0.170740D+01
                31            32            33            34            35 
      1   0.822941D+01  0.259755D+01 -0.306670D+00 -0.109703D+01 -0.680966D+00
      2   0.259755D+01  0.182671D+01  0.286907D+00 -0.680966D+00  0.870934D-01
      3  -0.306670D+00  0.286907D+00 -0.100576D-01 -0.294053D+01  0.135596D+01
                36            37            38            39            40 
      1  -0.294053D+01 -0.291794D+00 -0.400582D+01  0.495217D+00 -0.127570D+02
      2   0.135596D+01 -0.400582D+01 -0.698484D+01  0.105843D+01 -0.307861D+01
      3  -0.135229D+01  0.495217D+00  0.105843D+01 -0.156021D+01  0.204477D+00
                41            42            43            44            45 
      1  -0.307861D+01  0.204477D+00  0.197024D+01 -0.525541D-01 -0.194940D+01
      2  -0.608292D+01  0.219873D-01 -0.525541D-01 -0.475564D+00 -0.298869D+01
      3   0.219873D-01 -0.735912D+00 -0.194940D+01 -0.298869D+01  0.706259D+00
                46            47            48            49            50 
      1  -0.319246D+01  0.366136D+01 -0.563933D+00 -0.463638D+01  0.846074D+00
      2   0.366136D+01  0.334402D+01 -0.693837D-01  0.846074D+00 -0.104627D+01
      3  -0.563933D+00 -0.693837D-01 -0.126217D+00  0.402335D-01 -0.602645D+00
                51            52            53            54            55 
      1   0.402335D-01 -0.432557D-02  0.752604D+00  0.166593D+01  0.242434D+01
      2  -0.602645D+00  0.752604D+00 -0.311048D+00 -0.368101D+01 -0.529805D+00
      3  -0.239688D+01  0.166593D+01 -0.368101D+01  0.135640D+01  0.707569D+00
                56            57            58            59            60 
      1  -0.529805D+00  0.707569D+00 -0.895607D+00  0.420794D+01 -0.404852D+00
      2   0.318850D+01 -0.245816D+00  0.420794D+01 -0.187599D+01 -0.190962D+01
      3  -0.245816D+00  0.177958D+01 -0.404852D+00 -0.190962D+01 -0.943216D+00
                61            62            63            64            65 
      1   0.263370D+01 -0.540811D+00  0.300721D+01  0.686364D+01 -0.182633D+01
      2  -0.540811D+00 -0.214980D+01 -0.129100D+01 -0.182633D+01 -0.234446D+01
      3   0.300721D+01 -0.129100D+01  0.773106D+01  0.180913D+01 -0.325803D-01
                66            67            68            69            70 
      1   0.180913D+01 -0.417357D+01 -0.166686D+01  0.615961D+00  0.203942D+01
      2  -0.325803D-01 -0.166686D+01  0.138855D+01  0.132766D+01  0.814594D-01
      3  -0.190352D+00  0.615961D+00  0.132766D+01 -0.628061D+00  0.183759D+01
                71            72            73            74            75 
      1   0.814594D-01  0.183759D+01 -0.554191D+01 -0.133841D+01 -0.153597D+01
      2   0.166342D+01  0.489733D+00 -0.133841D+01  0.617287D+00 -0.108471D+01
      3   0.489733D+00 -0.767801D+01 -0.153597D+01 -0.108471D+01  0.177729D+00
                76            77            78            79            80 
      1   0.585226D+00 -0.121933D+01 -0.627922D+00 -0.184716D+01  0.215468D+00
      2  -0.121933D+01 -0.520442D+01 -0.138666D+01  0.215468D+00 -0.135105D+01
      3  -0.627922D+00 -0.138666D+01  0.192160D+00 -0.171248D+01 -0.201996D+01
                81            82            83            84            85 
      1  -0.171248D+01  0.304411D+01  0.470207D+00  0.259962D+00  0.108877D+01
      2  -0.201996D+01  0.470207D+00 -0.124649D+01 -0.584742D+00  0.249804D+01
      3  -0.699567D-01  0.259962D+00 -0.584742D+00 -0.109476D+00 -0.126533D+01
                86            87            88            89            90 
      1   0.249804D+01 -0.126533D+01 -0.841378D+00 -0.279217D+01  0.213324D+01
      2   0.798655D+01  0.344717D+00 -0.279217D+01 -0.102174D+01  0.570954D+01
      3   0.344717D+00  0.216147D+01  0.213324D+01  0.570954D+01 -0.514571D+01
                91            92            93            94            95 
      1   0.685559D+01  0.433220D+01 -0.325425D+00  0.434842D+01  0.436947D+01
      2   0.433220D+01  0.331553D+01 -0.184705D+00  0.436947D+01  0.510911D+01
      3  -0.325425D+00 -0.184705D+00  0.593028D+00 -0.512876D+00 -0.496249D+00
                96            97            98            99           100 
      1  -0.512876D+00 -0.160338D+00 -0.351881D+00 -0.880376D-01  0.126717D+02
      2  -0.496249D+00 -0.351881D+00 -0.549583D+00 -0.263629D-01 -0.243810D+01
      3   0.609728D+00 -0.880376D-01 -0.263629D-01 -0.309201D-01  0.101011D+01
               101           102           103           104           105 
      1  -0.243810D+01  0.101011D+01 -0.248572D+01  0.207612D+01 -0.442369D+00
      2   0.117856D+01 -0.182471D+00  0.207612D+01 -0.104711D+01  0.232230D+00
      3  -0.182471D+00  0.871577D+00 -0.442369D+00  0.232230D+00 -0.270652D+00
               106           107           108           109           110 
      1   0.116645D+01 -0.514127D+00 -0.537400D-01 -0.791318D+00  0.140546D+01
      2  -0.514127D+00  0.153911D+00 -0.172829D-01  0.140546D+01 -0.908597D+00
      3  -0.537400D-01 -0.172829D-01  0.680619D-01 -0.786541D-01  0.146475D+00
               111           112           113           114           115 
      1  -0.786541D-01  0.124046D+01 -0.106332D+01  0.895534D-01 -0.221028D+00
      2   0.146475D+00 -0.106332D+01  0.873542D+01 -0.136470D+01  0.241292D+00
      3  -0.509877D-01  0.895534D-01 -0.136470D+01  0.933194D+00  0.176656D-01
               116           117           118           119           120 
      1   0.241292D+00  0.176656D-01  0.139319D+01 -0.191607D+01  0.286375D+00
      2  -0.147967D+01  0.245004D+00 -0.191607D+01  0.215147D+01 -0.342557D+00
      3   0.245004D+00 -0.221305D+00  0.286375D+00 -0.342557D+00  0.353200D+00
               121           122           123           124           125 
      1  -0.187243D+01  0.288882D+01 -0.410513D+00  0.435315D+00 -0.492811D+00
      2   0.288882D+01 -0.967964D+01  0.126376D+01 -0.492811D+00  0.136854D+01
      3  -0.410513D+00  0.126376D+01 -0.929681D+00  0.136455D+00 -0.265448D+00
               126           127           128           129           130 
      1   0.136455D+00 -0.205917D+01  0.286193D+00 -0.177547D+01  0.744853D+00
      2  -0.265448D+00  0.286193D+00 -0.682883D+00  0.314597D+00 -0.165201D+01
      3   0.201633D+00 -0.177547D+01  0.314597D+00 -0.164843D+01  0.429508D+00
               131           132           133           134           135 
      1  -0.165201D+01  0.429508D+00 -0.471838D+01  0.130136D+01 -0.314865D+01
      2   0.138411D+01 -0.934683D+00  0.130136D+01 -0.154250D+01  0.138410D+01
      3  -0.934683D+00  0.813217D+00 -0.314865D+01  0.138410D+01 -0.838645D+01
               136           137           138           139           140 
      1   0.775536D+01 -0.311178D+01  0.103349D+01 -0.440912D+00 -0.357817D+01
      2  -0.311178D+01 -0.247385D+01  0.227803D-02 -0.357817D+01  0.777421D+00
      3   0.103349D+01  0.227803D-02 -0.177695D+01  0.455456D-01  0.292780D+01
               141           142           143           144           145 
      1   0.455456D-01  0.158727D+01 -0.828229D+00 -0.146854D+01 -0.118627D+02
      2   0.292780D+01 -0.828229D+00  0.380895D+01 -0.149191D+00  0.566030D+00
      3   0.314975D+00 -0.146854D+01 -0.149191D+00 -0.558252D+01 -0.141659D+01
               146           147           148           149           150 
      1   0.566030D+00 -0.141659D+01  0.166980D+01 -0.129714D+01  0.106858D+00
      2  -0.103875D+01  0.225423D-01 -0.129714D+01  0.414381D+00 -0.406872D+00
      3   0.225423D-01 -0.112279D+01  0.106858D+00 -0.406872D+00  0.594919D-02
               151           152           153           154           155 
      1  -0.291058D+01  0.144755D+00 -0.170311D+01 -0.118195D+01  0.715142D-01
      2   0.144755D+00 -0.736720D+00  0.279006D-01  0.715142D-01  0.371680D+00
      3  -0.170311D+01  0.279006D-01 -0.350758D+00  0.970093D+00  0.248300D-01
               156           157           158           159           160 
      1   0.970093D+00  0.176237D+00 -0.226715D+00 -0.569887D-01  0.217183D+01
      2   0.248300D-01 -0.226715D+00 -0.220452D+00  0.101085D+01 -0.352267D-03
      3   0.204629D+00 -0.569887D-01  0.101085D+01 -0.316385D+00 -0.266852D+01
               161           162           163           164           165 
      1  -0.352267D-03 -0.266852D+01  0.782990D+00 -0.729162D+00 -0.619011D+00
      2   0.159509D+01 -0.238123D+00 -0.729162D+00  0.229898D+01  0.546644D+00
      3  -0.238123D+00  0.774974D+01 -0.619011D+00  0.546644D+00  0.253368D+00
               166           167           168           169           170 
      1  -0.146921D+01 -0.544974D+00  0.182639D+00 -0.936671D+00  0.178250D+00
      2  -0.544974D+00 -0.933209D+01 -0.227301D+01  0.178250D+00 -0.380153D+01
      3   0.182639D+00 -0.227301D+01 -0.163533D+01 -0.188219D+00 -0.269194D+01
               171           172           173           174           175 
      1  -0.188219D+00 -0.143845D+01 -0.986747D+00  0.132787D+01 -0.669177D+00
      2  -0.269194D+01 -0.986747D+00 -0.296208D+00  0.536602D+00 -0.122706D+01
      3  -0.135736D+01  0.132787D+01  0.536602D+00 -0.952729D+00  0.588638D+00
               176           177           178           179           180 
      1  -0.122706D+01  0.588638D+00  0.299486D+01  0.199260D+01 -0.155803D+01
      2  -0.417874D+01  0.212963D+01  0.199260D+01  0.476902D+01 -0.472195D+01
      3   0.212963D+01 -0.166249D+01 -0.155803D+01 -0.472195D+01  0.690165D+01
               181           182           183           184           185 
      1  -0.181078D+00  0.288400D+00  0.705569D+00 -0.317104D+00  0.409084D+00
      2   0.288400D+00  0.711087D+00  0.237780D+00  0.409084D+00  0.138545D+00
      3   0.705569D+00  0.237780D+00  0.124462D+01  0.735556D-01  0.443519D+00
               186           187           188           189           190 
      1   0.735556D-01  0.134065D+01 -0.421513D+00 -0.132192D+00 -0.109687D+02
      2   0.443519D+00 -0.421513D+00  0.172880D+01  0.143377D+01  0.418817D+01
      3  -0.200480D+00 -0.132192D+00  0.143377D+01  0.722528D+01 -0.164930D-01
               191           192           193           194           195 
      1   0.418817D+01 -0.164930D-01  0.190345D+01 -0.153968D+01  0.162077D-01
      2  -0.294310D+01 -0.215851D+00 -0.153968D+01  0.140230D+01 -0.287398D+00
      3  -0.215851D+00 -0.107713D+01  0.162077D-01 -0.287398D+00  0.165283D+00
               196           197           198           199           200 
      1  -0.111084D+01  0.389755D+00 -0.998669D+00  0.577631D+00  0.111265D+01
      2   0.389755D+00 -0.805988D+00  0.507287D+00  0.111265D+01  0.248928D+01
      3  -0.998669D+00  0.507287D+00  0.166930D+00 -0.581745D+00 -0.249432D+00
               201           202           203           204           205 
      1  -0.581745D+00  0.149333D+01  0.978808D+00 -0.344430D+00 -0.107392D+01
      2  -0.249432D+00  0.978808D+00  0.689542D+01 -0.132328D+01  0.620270D-01
      3   0.800310D+00 -0.344430D+00 -0.132328D+01  0.116390D+01  0.472061D+00
               206           207 
      1   0.620270D-01  0.472061D+00
      2  -0.242810D+01  0.118102D+01
      3   0.118102D+01 -0.488589D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.934057D+00 -0.123242D+00 -0.437547D+01 -0.160143D+01  0.118695D+00
      2  -0.109368D+01 -0.171407D+01  0.474632D+01  0.143450D+01  0.242940D+01
      3  -0.516933D+01 -0.135992D+02  0.122574D+01  0.714952D+01 -0.107250D+01
                 6             7             8             9            10 
      1  -0.711857D+00 -0.821493D+01  0.522659D+01 -0.109766D+01 -0.378104D-01
      2   0.762867D+01  0.690761D+00  0.118596D+02 -0.305279D+01  0.806930D+00
      3  -0.124513D+01 -0.224007D+01 -0.293153D+01 -0.476076D+01  0.368129D+01
                11            12            13            14            15 
      1  -0.149245D+00  0.176903D+01  0.297834D+00  0.263560D+01  0.235206D+01
      2  -0.165402D+00  0.911736D+01  0.311295D+01 -0.137203D+01 -0.343311D+01
      3  -0.106159D+02  0.300301D+00  0.114159D+02  0.220940D+00  0.163846D+01
                16            17            18            19            20 
      1   0.400463D+01  0.111573D+02 -0.151851D+01 -0.728384D-01  0.369095D-01
      2   0.935456D+01 -0.544992D+01  0.359490D+01  0.238444D+01 -0.216695D+01
      3  -0.309367D+01  0.787447D+00  0.202742D+01  0.744844D+01 -0.479609D+01
                21            22            23            24            25 
      1   0.365525D+01  0.855496D+00  0.100689D+00 -0.355807D+01  0.244913D+01
      2  -0.234187D+01 -0.143726D+01 -0.210607D+00  0.324716D+01 -0.143831D+02
      3   0.176545D+01  0.517592D+01 -0.894812D+01 -0.507600D+00  0.350463D+01
                26            27            28            29            30 
      1   0.750085D+00  0.121484D+01 -0.346987D+00 -0.356748D+00  0.147547D+01
      2   0.437257D+01 -0.251049D+01  0.118834D+01  0.154305D+01 -0.219264D+01
      3  -0.101720D+01 -0.687989D+01 -0.327167D+01  0.125648D+02 -0.191184D+01
                31            32            33            34            35 
      1  -0.147698D+01  0.194620D+01 -0.494811D+00  0.259523D+01  0.103949D+02
      2   0.688778D+00 -0.100538D+01  0.395867D+00 -0.141899D+02  0.100129D+01
      3   0.121663D+02 -0.100227D+02  0.216379D+01  0.981741D+00  0.219617D+01
                36            37            38            39            40 
      1  -0.663659D+00  0.131461D+01  0.280934D+00 -0.115699D+01 -0.367844D+00
      2  -0.120502D+01  0.151836D+00 -0.368739D+00 -0.139496D+01 -0.318125D+01
      3  -0.251041D+01 -0.676317D+01  0.549831D+01 -0.661968D+00  0.108005D+02
                41            42            43            44            45 
      1   0.181081D+01 -0.637644D+00 -0.322227D+01  0.727386D+01 -0.592080D+00
      2   0.194376D+01 -0.104161D+01 -0.145465D+02 -0.901755D-01  0.248581D+00
      3   0.193894D+02 -0.221188D+01 -0.130052D+01 -0.325338D+00  0.401858D+01
                46            47            48            49            50 
      1  -0.134885D+01  0.190458D+00 -0.130883D+01 -0.220016D+00 -0.298346D+00
      2  -0.276005D+00 -0.585025D+00 -0.104197D+01 -0.169442D+01 -0.152092D+01
      3  -0.677773D+00 -0.137554D+02  0.133353D+01 -0.577003D+00  0.515237D+01
                51            52            53            54            55 
      1  -0.338575D+01  0.261297D+01  0.143575D+01  0.173362D+00  0.809561D+00
      2  -0.607722D+01 -0.984389D+01 -0.966071D+01  0.267591D+01  0.158730D+00
      3   0.874691D+00  0.155153D+01  0.105619D+01  0.684386D+01  0.354814D+01
                56            57            58            59            60 
      1   0.378387D+00 -0.243881D+01 -0.191166D+01  0.403979D+01 -0.227325D+00
      2  -0.502868D+00  0.325039D+00  0.395568D+00  0.447251D+01  0.703572D+00
      3  -0.890498D+00 -0.682437D+00  0.146016D+02  0.392032D+01 -0.540770D+01
                61            62            63            64            65 
      1  -0.428958D+01  0.753681D+01 -0.499999D+01 -0.419501D+00  0.305829D+00
      2  -0.854215D+01  0.115377D+01 -0.110629D+02 -0.917911D+01  0.102514D+01
      3   0.192655D+01 -0.701087D+01  0.125216D+01 -0.833655D+01 -0.984003D+01
                66            67            68            69            70 
      1  -0.328272D-01  0.129489D+01 -0.120461D+01  0.116190D+01  0.105888D+01
      2   0.688977D+00 -0.819040D+00 -0.304595D+01  0.182992D+01 -0.825736D+01
      3  -0.258719D+00 -0.931120D+01  0.612023D+01  0.456554D+01 -0.104440D+01
                71            72            73            74            75 
      1   0.195127D+01 -0.969562D-01 -0.243900D+01 -0.275692D+00  0.128165D+01
      2  -0.243726D+01  0.192149D+02  0.380259D+00  0.499327D+00  0.625624D+01
      3   0.343765D+01  0.661416D+00  0.135360D+02 -0.372689D+01  0.215195D+01
                76            77            78            79            80 
      1   0.641584D+00 -0.409629D+00 -0.628100D+01 -0.434621D+01  0.201780D+01
      2   0.657419D+00  0.274273D+01 -0.187530D+01 -0.362259D+01  0.394604D+01
      3   0.764378D+01 -0.136754D+02 -0.458505D+01  0.550444D+01 -0.646070D+01
                81            82            83            84            85 
      1  -0.184729D+01  0.100427D+01 -0.518406D+01 -0.172286D+01 -0.307151D+01
      2   0.126373D+01  0.273342D+01 -0.777365D+00 -0.204838D+01  0.734664D+00
      3  -0.208110D+00 -0.856504D+01 -0.153049D+01 -0.111409D+01  0.773784D+01
                86            87            88            89            90 
      1   0.480479D+01  0.531704D+01  0.763270D+01  0.185468D+02 -0.120361D+02
      2  -0.122383D+01  0.101937D+01 -0.406902D+01 -0.220084D+01  0.500163D+00
      3  -0.148554D+01  0.512296D+01  0.540051D-01  0.992757D+01 -0.907093D+00
                91            92            93            94            95 
      1  -0.880513D-01 -0.310424D+00 -0.234863D+01  0.317888D+00  0.192498D-01
      2   0.342874D+00  0.259942D+00  0.361980D+01 -0.689812D+00 -0.714739D+00
      3  -0.229664D+01 -0.592043D+01  0.550338D-01 -0.478630D+01 -0.101302D+02
                96            97            98            99           100 
      1  -0.272494D+01  0.121984D+01  0.133581D+01  0.155873D+00  0.198478D+00
      2   0.321182D+01 -0.171871D+01 -0.119548D+01 -0.124183D+00  0.158614D+01
      3   0.647068D+00  0.114698D+01  0.160172D+01  0.128031D+00  0.255188D+01
               101           102           103           104           105 
      1   0.384135D+00  0.116361D+01  0.402671D-01 -0.898882D-01 -0.726477D+00
      2  -0.279380D+00  0.603691D+01 -0.122112D+01  0.587276D+00 -0.166092D+01
      3  -0.590895D+01  0.181461D+00 -0.478737D+01  0.302616D+01 -0.541928D+00
               106           107           108           109           110 
      1  -0.705845D+00  0.493424D+00  0.584668D-01 -0.608481D+00  0.364516D+00
      2  -0.276567D+01  0.608016D+00  0.350206D+00 -0.808171D+00  0.793940D+00
      3   0.169326D+01 -0.949608D+00  0.110478D+00 -0.585643D+01  0.482016D+01
               111           112           113           114           115 
      1   0.632838D+00  0.556609D+00 -0.904643D+00 -0.419996D+01 -0.377172D+00
      2   0.126022D+00  0.112954D+01 -0.195198D+01  0.467464D+00 -0.129317D+01
      3  -0.688057D-01  0.823672D+01 -0.150129D+02  0.189244D+01 -0.375932D+00
               116           117           118           119           120 
      1   0.206545D+01  0.386994D+00  0.387451D-01 -0.380048D-01  0.128522D+01
      2   0.265048D+00  0.169111D+00  0.411399D+00 -0.395260D+00  0.109754D+01
      3   0.267267D+01 -0.131714D+00  0.164475D+01 -0.170134D+01  0.325198D+00
               121           122           123           124           125 
      1  -0.789208D-02 -0.291147D+00 -0.448376D+01 -0.126002D+00  0.187110D+01
      2  -0.157274D+00  0.234545D+01 -0.253579D+01 -0.114482D+01  0.301235D+00
      3   0.768480D+00  0.167868D+02 -0.213567D+01  0.493699D+00 -0.221195D+01
               126           127           128           129           130 
      1   0.462336D+00  0.203543D+01  0.899916D+00  0.127236D+01  0.937726D+00
      2   0.184895D+00  0.736889D+00 -0.792487D+00  0.298574D+01 -0.957206D+00
      3  -0.162030D+00 -0.209714D+01 -0.346197D+01 -0.135692D+01 -0.187067D+01
               131           132           133           134           135 
      1  -0.421148D+00 -0.162829D+01  0.195623D+01  0.124363D+01  0.697143D+01
      2   0.340072D+00 -0.121398D+01  0.347746D+00 -0.983239D+00  0.113584D+02
      3   0.960497D+00 -0.123124D+01 -0.331188D+01 -0.763593D+00 -0.335349D+00
               136           137           138           139           140 
      1  -0.418327D+01 -0.139503D+01  0.490230D+01  0.649399D+00 -0.113059D+02
      2  -0.541718D+01  0.253072D+01  0.500109D+01  0.197644D+01 -0.474463D+01
      3   0.146448D+02 -0.188145D+02  0.288989D+01 -0.105723D+02 -0.879588D+01
               141           142           143           144           145 
      1  -0.175900D+01  0.240619D+01  0.418430D+01  0.137952D+02 -0.156637D+00
      2  -0.459323D+00  0.526650D+00  0.111082D+01  0.114134D+02  0.482264D+01
      3   0.736128D+01  0.203145D+01  0.696635D+01 -0.447578D+01  0.469406D+01
               146           147           148           149           150 
      1   0.319983D+00 -0.733970D-02 -0.114172D+00 -0.128349D+00 -0.737714D+00
      2  -0.121346D+00  0.631805D+01 -0.455052D+00  0.112441D+01 -0.427642D+00
      3  -0.731821D+01  0.585771D+00 -0.236493D+01  0.226106D+01 -0.133897D+01
               151           152           153           154           155 
      1  -0.465194D+00  0.863137D+00 -0.156567D+00  0.197332D-01  0.489950D+00
      2   0.369316D+01 -0.746105D-01  0.136442D+01 -0.192247D+01  0.142476D+00
      3   0.651446D+00 -0.332115D+01  0.371342D+00  0.142961D+01  0.123994D+01
               156           157           158           159           160 
      1   0.329971D-01  0.291633D-01  0.166246D+00 -0.919662D+00 -0.702416D+00
      2   0.301024D+00  0.973942D+00 -0.270612D+01  0.595745D+00  0.206423D+01
      3  -0.367372D+00  0.188420D+01 -0.388708D+00  0.245935D+01 -0.948218D+00
               161           162           163           164           165 
      1   0.452295D+01  0.139026D+01 -0.127394D+01  0.174365D+01  0.107973D+01
      2   0.994979D+00 -0.195903D+02 -0.206071D+00 -0.679711D+00  0.938328D+00
      3   0.621754D+01  0.594415D+00 -0.281711D+01  0.995146D+00  0.263733D+01
               166           167           168           169           170 
      1  -0.336368D+00 -0.641361D+01 -0.652888D+01 -0.860017D+00 -0.603041D+01
      2  -0.477387D+00  0.150158D+01  0.456744D+00 -0.675331D+00  0.791869D+00
      3   0.534064D+01 -0.605627D+01 -0.274195D+01  0.390307D+01 -0.411081D+01
               171           172           173           174           175 
      1  -0.429016D+01  0.300764D+01  0.885014D+00 -0.215964D+01  0.161741D+01
      2   0.726948D+00  0.127897D+01  0.562291D+00  0.114997D+01  0.393552D+00
      3  -0.172678D+01  0.458729D+01  0.765311D+00 -0.302721D+01  0.173497D+01
               176           177           178           179           180 
      1   0.296004D+01 -0.489819D+01 -0.371639D+01 -0.796942D+01  0.166272D+02
      2  -0.605216D+00  0.860799D+00 -0.216104D+01  0.130274D+01 -0.245603D+01
      3  -0.133282D+01  0.496499D-01 -0.797642D+01 -0.212566D+01 -0.576188D+00
               181           182           183           184           185 
      1  -0.143142D+01  0.389870D+00 -0.302463D+01  0.796595D-01 -0.150866D+01
      2  -0.222688D+01 -0.354922D+00 -0.197244D+01  0.169983D+00 -0.797282D+00
      3   0.735094D+00  0.173244D+01  0.198717D+01  0.133274D+01  0.914630D+00
               186           187           188           189           190 
      1  -0.405263D+00 -0.368071D+00  0.592413D+00 -0.176591D+02  0.779131D+00
      2   0.313481D+00 -0.373112D+01 -0.226663D+01 -0.136314D+02  0.364779D+01
      3   0.750925D+00  0.300110D+01  0.268882D+01  0.362705D+01 -0.191727D+02
               191           192           193           194           195 
      1  -0.297743D+00  0.341652D+01 -0.353743D+00  0.118998D+01 -0.121371D+01
      2  -0.598479D+00  0.525991D+01 -0.968673D+00  0.100203D+01 -0.862504D+00
      3  -0.939431D-02 -0.789109D+00  0.331791D+01 -0.278862D+00 -0.983951D+00
               196           197           198           199           200 
      1   0.182106D+01 -0.257840D+00 -0.447732D+00  0.226512D+01  0.146064D+01
      2   0.108225D+01 -0.716678D+00 -0.292183D+00  0.906824D+00 -0.143336D+00
      3  -0.167271D+01 -0.122196D+01 -0.102559D+01  0.780703D+01  0.751656D+01
               201           202           203           204           205 
      1  -0.339095D+01  0.173577D+01  0.547225D+01 -0.572543D+01 -0.164754D+01
      2  -0.559315D+00  0.391161D+00  0.140945D+01 -0.114321D+01 -0.180695D+01
      3  -0.290885D+01  0.995467D+01  0.171612D+02 -0.419182D+01 -0.448008D+01
               206           207 
      1  -0.244914D+01  0.187832D+01
      2  -0.134616D+01  0.456529D+00
      3  -0.510176D+01  0.406494D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.200410D+00 -0.198186D+02  0.170438D+01  0.333097D+02  0.326646D+01
      2  -0.377011D+01  0.139340D+02  0.182273D+01 -0.317000D+02 -0.769626D+01
      3   0.356970D+01  0.588464D+01 -0.352712D+01 -0.160964D+01  0.442980D+01
      4  -0.177667D+02  0.142115D+02 -0.382910D+01  0.248647D+01 -0.155195D+02
      5   0.314316D+00 -0.427526D+01  0.107267D+02  0.393667D+01  0.776730D+01
      6  -0.134624D+01 -0.109673D+01  0.981994D+01  0.598678D+01  0.315397D+01
                 6             7             8             9            10 
      1   0.950377D+00 -0.903902D+01 -0.179977D+01  0.812061D+01 -0.353490D+01
      2  -0.158238D+01  0.959491D+01  0.385999D+01 -0.131465D+02 -0.841725D-01
      3   0.632004D+00 -0.555886D+00 -0.206022D+01  0.502589D+01  0.361907D+01
      4   0.766787D+01  0.363798D+00  0.755946D+01  0.164440D+02  0.705866D+01
      5   0.161491D+02  0.288691D+02  0.176153D+02 -0.634054D+01 -0.601450D+01
      6   0.297262D+01  0.100202D+02  0.127800D+02  0.144268D+01  0.682801D+00
                11            12            13            14            15 
      1   0.435513D+01 -0.440746D+01 -0.190798D+02 -0.223326D+02  0.549685D+01
      2  -0.128187D+01  0.144036D+01  0.172262D+02  0.223108D+02 -0.697607D+01
      3  -0.307326D+01  0.296711D+01  0.185360D+01  0.218475D-01  0.147921D+01
      4   0.244393D+02  0.338037D+00 -0.244715D+02  0.124072D+02 -0.484365D+01
      5   0.306167D-01  0.200605D+02  0.883768D+01 -0.624751D+01 -0.729229D+01
      6  -0.448615D+00 -0.416428D+01 -0.433976D+01 -0.284049D+01 -0.518580D+01
                16            17            18            19            20 
      1  -0.284390D+01  0.740977D+01  0.176076D+02  0.104177D+02  0.365519D+01
      2  -0.164215D+01 -0.548830D+01 -0.214256D+02 -0.711036D+01 -0.631580D+01
      3   0.448604D+01 -0.192147D+01  0.381791D+01 -0.330731D+01  0.266060D+01
      4   0.105796D+02 -0.177472D+01 -0.443052D+01  0.775701D+01 -0.255594D+02
      5   0.389663D+02 -0.700910D+01  0.721054D+01 -0.144344D+01  0.294596D+01
      6  -0.276261D+01  0.612357D+01  0.279434D+01  0.392267D+00 -0.162570D+01
                21            22            23            24            25 
      1   0.842556D+00  0.698365D+01  0.438587D+01 -0.382075D+01 -0.600362D+00
      2  -0.218851D+01  0.362706D+00 -0.107059D+02  0.546493D+01 -0.258677D+00
      3   0.134595D+01 -0.734636D+01  0.631998D+01 -0.164418D+01  0.859039D+00
      4   0.290130D+01  0.173432D+02  0.111430D+02  0.570562D+00 -0.308265D+01
      5  -0.622787D+01 -0.289748D+01  0.840892D+00  0.491383D+01  0.164744D+01
      6  -0.713499D+01 -0.142802D+01  0.796001D+01  0.743250D+01 -0.402342D+00
                26            27            28            29            30 
      1  -0.198470D+01 -0.150343D+02 -0.340920D+02  0.100263D+02 -0.629910D+00
      2   0.665984D+01  0.224609D+01  0.163794D+02 -0.274279D+01  0.440361D+00
      3  -0.467514D+01  0.127882D+02  0.177125D+02 -0.728349D+01  0.189549D+00
      4  -0.122808D+01  0.102796D+02 -0.936766D+01  0.621750D+01 -0.297373D+01
      5   0.102503D+02 -0.602099D+01  0.545518D+01 -0.216599D+01 -0.208401D+01
      6   0.153639D+02 -0.415975D+01 -0.225234D+01  0.478397D+00 -0.207530D+01
                31            32            33            34            35 
      1   0.115459D+02  0.112001D+01 -0.184517D+01 -0.587745D+01 -0.168098D+01
      2  -0.411295D+01  0.454341D+01  0.180096D+00  0.287395D+01  0.321547D+01
      3  -0.743290D+01 -0.566341D+01  0.166507D+01  0.300350D+01 -0.153449D+01
      4  -0.613697D+01  0.508248D+01 -0.250559D+01  0.172501D+01 -0.416817D+01
      5   0.263011D+00 -0.120148D+01 -0.500003D+00  0.140795D+01  0.806316D+00
      6  -0.138751D+01 -0.335084D+00  0.275831D-02 -0.217444D+01  0.453606D+01
                36            37            38            39            40 
      1  -0.104716D+02 -0.123358D+02 -0.270349D+02  0.418398D+01 -0.175750D+02
      2  -0.198592D+01  0.120569D+02  0.187016D+02 -0.313490D+01  0.598896D+01
      3   0.124575D+02  0.278874D+00  0.833337D+01 -0.104908D+01  0.115861D+02
      4  -0.160561D+01 -0.774387D+01 -0.133799D+01 -0.286541D+00  0.105608D+01
      5  -0.681737D+00 -0.133766D+01 -0.216341D+01 -0.166260D+01 -0.626388D+00
      6  -0.386846D+00 -0.295708D+01 -0.239195D+01  0.235376D+01  0.151979D+01
                41            42            43            44            45 
      1  -0.123874D+02 -0.110657D+01  0.218625D+01 -0.358208D+01 -0.143275D+02
      2   0.123748D+02 -0.122225D+01 -0.295182D+01  0.341534D+01  0.298357D+01
      3   0.125420D-01  0.232882D+01  0.765568D+00  0.166739D+00  0.113439D+02
      4  -0.915259D+01  0.441176D+00  0.117320D+01 -0.248882D+01 -0.865489D+00
      5  -0.595116D+00 -0.786574D+00  0.907598D+00 -0.281853D+01 -0.803076D+00
      6  -0.636587D+00  0.918236D+00  0.287110D+01  0.109428D+02 -0.707794D+00
                46            47            48            49            50 
      1   0.100819D+02  0.213492D+02 -0.260532D+00 -0.224351D+02  0.142107D+02
      2  -0.100675D+02 -0.152554D+02  0.175192D+01  0.193552D+02 -0.221046D+02
      3  -0.143872D-01 -0.609387D+01 -0.149139D+01  0.307993D+01  0.789396D+01
      4   0.102164D+02 -0.166923D+02  0.380569D+01  0.126023D+02 -0.122567D+01
      5  -0.344180D+00  0.524885D+01 -0.383507D+01 -0.705814D+00 -0.318461D+01
      6   0.398218D+01 -0.120701D+01  0.142417D+01 -0.316838D+01  0.768514D+01
                51            52            53            54            55 
      1  -0.231736D+01  0.395354D+01  0.168113D+01 -0.571370D+01  0.204203D+02
      2   0.508296D+01 -0.571335D+01  0.332301D+01 -0.436818D+01 -0.707719D+01
      3  -0.276561D+01  0.175982D+01 -0.500413D+01  0.100819D+02 -0.133431D+02
      4  -0.364161D+01  0.209356D+01 -0.685593D+01 -0.160007D+02 -0.383927D+01
      5  -0.119777D+02  0.104145D+02 -0.162013D+02  0.547017D+01 -0.255135D+01
      6   0.763384D+01 -0.545812D+01  0.142299D+02 -0.106390D+01  0.308787D+01
                56            57            58            59            60 
      1  -0.141624D+02  0.322146D+00 -0.180642D+02 -0.824451D+00  0.400178D+01
      2   0.126884D+02  0.622287D+00  0.170083D+02 -0.316408D+01 -0.777175D+01
      3   0.147393D+01 -0.944432D+00  0.105595D+01  0.398853D+01  0.376997D+01
      4  -0.929347D+01  0.205261D+01 -0.153855D+02  0.111051D+02  0.799178D+01
      5   0.230782D+01 -0.754631D+01  0.257433D+01  0.840606D+01  0.314867D+01
      6   0.244966D+01  0.468968D+01  0.387998D+01 -0.862535D+01 -0.500039D+01
                61            62            63            64            65 
      1   0.117433D+02  0.131482D+01  0.630984D+01 -0.490721D+02  0.963208D+01
      2   0.679431D+01 -0.129751D+02  0.549254D+01  0.273191D+02 -0.709152D+01
      3  -0.185377D+02  0.116603D+02 -0.118024D+02  0.217529D+02 -0.254056D+01
      4   0.637568D-01  0.998680D+01  0.834620D+01  0.981125D+01  0.671128D+01
      5  -0.120383D+02  0.665665D+01 -0.284577D+02 -0.139580D+02  0.735318D+00
      6   0.918004D+01 -0.409448D+01  0.152244D+02 -0.684608D+00 -0.151978D+01
                66            67            68            69            70 
      1  -0.988648D+01  0.198649D+02  0.132338D+02 -0.404172D+00 -0.147133D+02
      2   0.533943D+01 -0.138535D+02 -0.146378D+02  0.357969D+01  0.197557D+01
      3   0.454705D+01 -0.601139D+01  0.140408D+01 -0.317551D+01  0.127377D+02
      4   0.435632D+00  0.107833D+01 -0.238420D+01 -0.721262D+01 -0.253261D+01
      5  -0.157678D+01 -0.473585D+01 -0.773801D+01  0.533191D+01 -0.109812D+02
      6   0.304372D+00 -0.295232D+01 -0.190317D+01 -0.480968D+01 -0.251253D+01
                71            72            73            74            75 
      1   0.820261D+00  0.656283D+00  0.258254D+02  0.799761D+01 -0.145892D+00
      2   0.173515D+00  0.141622D+02 -0.144075D+02 -0.397762D+01 -0.191234D+01
      3  -0.993776D+00 -0.148184D+02 -0.114179D+02 -0.401999D+01  0.205823D+01
      4  -0.286274D+01 -0.391826D+01  0.149498D+02  0.142948D+02  0.659922D+01
      5  -0.240369D+01  0.366912D+02  0.780024D+01  0.386607D+01  0.108337D+02
      6  -0.683078D+00  0.319990D+01  0.587798D+01  0.569659D+01 -0.433858D+01
                76            77            78            79            80 
      1  -0.705708D+01 -0.117425D+02 -0.197665D+01  0.102263D+02 -0.843864D+00
      2   0.788101D+01  0.206173D+02  0.556191D+00 -0.666816D+01  0.255713D+01
      3  -0.823930D+00 -0.887489D+01  0.142045D+01 -0.355813D+01 -0.171327D+01
      4   0.138010D+02  0.188443D+02  0.679702D+01  0.713872D+01  0.780319D+01
      5   0.449434D+01  0.596429D+01 -0.370677D+01  0.114617D+02  0.721134D+01
      6   0.955543D+00  0.606808D+01  0.109523D+02  0.661737D+01  0.124890D+02
                81            82            83            84            85 
      1  -0.768919D+01 -0.124789D+02 -0.685993D+01 -0.336388D+01  0.120134D+02
      2  -0.422871D+01  0.875453D+01  0.132944D+02  0.653254D+01 -0.788845D+01
      3   0.119179D+02  0.372442D+01 -0.643443D+01 -0.316866D+01 -0.412499D+01
      4   0.959548D+01 -0.103433D+01 -0.611173D+01 -0.369727D+01  0.123848D+01
      5   0.220172D+01 -0.547240D+00 -0.116147D+01 -0.786674D+01  0.277677D+01
      6   0.340238D+01 -0.235567D+01  0.536799D+01  0.357032D+01  0.703914D+01
                86            87            88            89            90 
      1   0.368862D+02  0.203570D+01 -0.170578D+02 -0.622693D+01  0.281750D+02
      2  -0.408908D+02 -0.940745D+01  0.123931D+02 -0.731686D+01 -0.182180D+02
      3   0.400458D+01  0.737175D+01  0.466473D+01  0.135438D+02 -0.995702D+01
      4   0.286131D+01  0.380787D+01  0.305480D+01  0.525189D+01 -0.867866D+01
      5   0.329974D+01 -0.280196D+01 -0.596792D+01 -0.955263D+01  0.893006D+01
      6  -0.712369D+01 -0.156165D+02 -0.120185D+02 -0.350714D+02  0.276731D+02
                91            92            93            94            95 
      1   0.391328D+02  0.211090D+02 -0.180347D+01  0.173934D+02  0.117846D+02
      2  -0.133497D+02 -0.391967D+01  0.808871D+00  0.119315D+01  0.756216D+01
      3  -0.257831D+02 -0.171894D+02  0.994595D+00 -0.185865D+02 -0.193468D+02
      4   0.430061D+02  0.330911D+02 -0.208852D+01  0.388367D+02  0.410041D+02
      5  -0.335432D+01 -0.191060D+01  0.667542D+01 -0.406880D+01 -0.378237D+01
      6  -0.459015D+00 -0.428139D+00  0.305864D+01 -0.188741D+01 -0.187989D+01
                96            97            98            99           100 
      1  -0.142128D+01  0.444380D-01 -0.480447D+00  0.285711D-01  0.989373D+02
      2   0.475141D+00 -0.110091D+01 -0.794294D+00  0.836086D+00 -0.558346D+02
      3   0.946139D+00  0.105647D+01  0.127474D+01 -0.864657D+00 -0.431027D+02
      4  -0.374091D+01 -0.286182D+01 -0.380913D+01  0.180698D+01 -0.256106D+02
      5   0.495927D+01  0.983761D+00  0.379423D+00 -0.420080D+00  0.104831D+02
      6   0.462583D+01  0.580050D+00  0.116595D+01 -0.883480D+00  0.162324D+00
               101           102           103           104           105 
      1  -0.177715D+02  0.681054D+01 -0.168513D+02  0.122252D+02 -0.223243D+01
      2   0.903362D+01 -0.458584D+01  0.770597D+01 -0.538069D+01  0.166048D+01
      3   0.873789D+01 -0.222470D+01  0.914535D+01 -0.684447D+01  0.571951D+00
      4   0.133141D+02 -0.176323D+01  0.199383D+02 -0.920932D+01  0.180010D+01
      5  -0.194918D+01  0.103090D+02 -0.402311D+01  0.205001D+01 -0.247466D+01
      6   0.349327D+00 -0.127244D+01  0.105994D+01 -0.402157D+00  0.209959D+01
               106           107           108           109           110 
      1   0.884056D+01 -0.314624D+01  0.202380D+01 -0.410016D+01  0.486860D+01
      2  -0.485850D+01  0.190181D+01 -0.100736D+01  0.543619D+01 -0.461589D+01
      3  -0.398206D+01  0.124443D+01 -0.101643D+01 -0.133603D+01 -0.252706D+00
      4  -0.428211D+01  0.201811D+01 -0.131448D+01 -0.603596D+00  0.641718D+01
      5   0.178465D+01 -0.341116D+00  0.130536D+01 -0.566973D+00 -0.143176D+00
      6  -0.261615D+00  0.748272D+00 -0.583423D+00 -0.638388D+00  0.122061D+01
               111           112           113           114           115 
      1  -0.122336D+01  0.484177D+01 -0.336784D+02  0.576242D+01 -0.719339D+00
      2   0.641454D+00 -0.513701D+01  0.465600D+02 -0.560368D+01  0.590231D+00
      3   0.581910D+00  0.295248D+00 -0.128817D+02 -0.158745D+00  0.129108D+00
      4  -0.279144D+00  0.518740D+01  0.131561D+02 -0.263199D+01 -0.394331D+00
      5   0.117696D+01 -0.193397D+00 -0.336252D+01  0.156428D+01  0.683714D+00
      6  -0.638026D+00  0.483228D+00 -0.994322D+01  0.780365D+01 -0.260908D+00
               116           117           118           119           120 
      1   0.542473D+01 -0.215685D+01  0.300184D+01 -0.342481D+01  0.380758D+00
      2  -0.687626D+01  0.247109D+01  0.280930D+01 -0.350794D+01  0.563829D-01
      3   0.145153D+01 -0.314241D+00 -0.581114D+01  0.693275D+01 -0.437141D+00
      4  -0.175718D+01 -0.817662D+00 -0.129755D+02  0.177401D+02 -0.251365D+01
      5  -0.102898D+00  0.492922D+00  0.205678D+01 -0.264581D+01  0.310004D+01
      6   0.364875D+01 -0.200864D+01 -0.149431D+01  0.190685D+01 -0.198363D+01
               121           122           123           124           125 
      1   0.536460D+00 -0.197410D+02  0.275404D+01 -0.151350D-02  0.206426D+01
      2  -0.854240D+01  0.399280D+02 -0.361192D+01  0.130011D+01 -0.410436D+01
      3   0.800594D+01 -0.201870D+02  0.857877D+00 -0.129860D+01  0.204011D+01
      4   0.201194D+02 -0.448853D+02  0.577425D+01 -0.370317D+01  0.665210D+01
      5  -0.277158D+01  0.583730D+01 -0.452646D+01  0.121046D+01 -0.126344D+01
      6   0.280179D+01 -0.848013D+01  0.780374D+01 -0.140166D+01  0.364962D+01
               126           127           128           129           130 
      1  -0.197723D+01  0.299768D+01  0.130131D+01  0.240971D+01  0.291868D+01
      2   0.271556D+01 -0.643360D+01 -0.144741D+01 -0.400147D+01 -0.337801D+01
      3  -0.738333D+00  0.343592D+01  0.146102D+00  0.159175D+01  0.459329D+00
      4  -0.157017D+01 -0.250405D+01  0.609550D+01 -0.334152D+01  0.812933D+01
      5   0.832683D+00  0.878377D+01 -0.223174D+01  0.131244D+02 -0.190724D+01
      6  -0.222514D+01 -0.425515D+01  0.820101D+00 -0.315730D+01  0.178755D+01
               131           132           133           134           135 
      1  -0.430652D+01  0.153016D+01 -0.186988D+01  0.423133D+01 -0.149480D+02
      2   0.211743D+01 -0.915666D+00 -0.760794D+01 -0.169449D+00 -0.164986D+02
      3   0.218909D+01 -0.614495D+00  0.947781D+01 -0.406189D+01  0.314466D+02
      4  -0.641227D+01  0.355415D+01 -0.709440D+01  0.612758D+01 -0.617370D+01
      5   0.332741D+01 -0.294528D+01  0.177516D+02 -0.607890D+01  0.304852D+02
      6  -0.219296D+01  0.857647D+01 -0.778976D+01  0.729700D+01 -0.184450D+02
               136           137           138           139           140 
      1  -0.317021D+02  0.279752D+02 -0.148564D+01  0.239586D+02  0.698552D+01
      2   0.651361D+01 -0.263793D+02  0.555843D+01 -0.250743D+02 -0.104181D+02
      3   0.251885D+02 -0.159591D+01 -0.407279D+01  0.111572D+01  0.343261D+01
      4   0.388583D+02 -0.665085D+01  0.239281D+01  0.479172D+01 -0.140074D+02
      5  -0.538764D+00 -0.188491D+01  0.681722D+01 -0.114792D+01 -0.114945D+02
      6   0.501927D+01 -0.571904D+00 -0.808943D+01 -0.243719D+01  0.185713D+02
               141           142           143           144           145 
      1  -0.107759D+02 -0.310307D+01 -0.938368D+01  0.136741D+02  0.795094D+02
      2   0.167636D+02  0.133948D+00  0.202972D+02  0.374126D+01 -0.454276D+02
      3  -0.598771D+01  0.296912D+01 -0.109136D+02 -0.174154D+02 -0.340818D+02
      4  -0.783291D+01  0.684371D+01 -0.117045D+02 -0.825871D+01  0.116585D+00
      5  -0.308847D+00  0.685487D+01 -0.132532D+01  0.165767D+02  0.108964D+02
      6   0.353503D+01 -0.792873D+01  0.165963D+01 -0.231769D+02  0.855896D+00
               146           147           148           149           150 
      1  -0.420290D+01  0.932538D+01 -0.102078D+02  0.668379D+01 -0.444285D+00
      2   0.283397D+01 -0.540281D+01  0.608108D+01 -0.221310D+01  0.831382D+00
      3   0.136893D+01 -0.392257D+01  0.412670D+01 -0.447069D+01 -0.387098D+00
      4   0.942896D+01  0.535773D-01  0.115738D+02 -0.250859D+01  0.244661D+01
      5  -0.326881D+00  0.104847D+02 -0.821480D+00  0.278802D+01 -0.650518D+00
      6   0.405354D+00  0.345997D+00  0.561019D+00  0.243260D+00  0.153214D+01
               151           152           153           154           155 
      1   0.160926D+02 -0.923144D+00  0.814638D+01  0.757953D+01 -0.346908D+00
      2  -0.102766D+02  0.894596D+00 -0.739445D+01 -0.633760D+01  0.170645D+00
      3  -0.581600D+01  0.285473D-01 -0.751933D+00 -0.124193D+01  0.176262D+00
      4  -0.337241D+00  0.395484D+01  0.171344D+00  0.532150D+00 -0.792395D+00
      5   0.138555D+02 -0.423838D+00  0.427351D+01 -0.525889D+01 -0.196692D+00
      6   0.481567D+00  0.965368D+00 -0.988068D-01 -0.832594D+00 -0.468347D-01
               156           157           158           159           160 
      1  -0.452520D+01 -0.189408D+00 -0.331698D+01  0.159469D+01 -0.802855D+01
      2   0.269099D+01  0.417200D+00  0.707042D+00 -0.603849D+00  0.111977D+02
      3   0.183421D+01 -0.227792D+00  0.260994D+01 -0.990840D+00 -0.316914D+01
      4  -0.965990D+00  0.280165D+01  0.125433D+01 -0.483799D+01 -0.150952D+01
      5   0.382198D+01 -0.360829D-01 -0.465551D+01  0.128804D+01  0.181435D+02
      6   0.168737D+00 -0.156953D+01 -0.146510D+01  0.732282D+01  0.213828D+01
               161           162           163           164           165 
      1   0.645727D+00 -0.453212D+01 -0.120465D+01  0.935037D+01  0.348091D+01
      2  -0.826171D+00 -0.201133D+02  0.375024D+01 -0.134614D+02 -0.335469D+01
      3   0.180444D+00  0.246454D+02 -0.254559D+01  0.411103D+01 -0.126212D+00
      4  -0.790840D+01  0.288423D+01 -0.260359D+01  0.885740D+01  0.314407D+01
      5   0.138537D+01 -0.381894D+02 -0.143868D+00  0.118017D+01  0.252347D+01
      6   0.430978D+01 -0.598694D+01  0.406951D+01 -0.414053D+01 -0.191643D+01
               166           167           168           169           170 
      1  -0.727656D+00 -0.395853D+02 -0.983093D+01  0.217113D+01 -0.167140D+02
      2   0.794909D+00  0.580094D+02  0.144057D+02 -0.775272D+00  0.230528D+02
      3  -0.672530D-01 -0.184241D+02 -0.457475D+01 -0.139586D+01 -0.633882D+01
      4   0.636792D+01  0.201272D+01 -0.237898D+00  0.383582D+01  0.447816D+00
      5   0.665699D+00  0.114089D+01  0.148997D+01  0.239986D+01  0.233696D+01
      6  -0.297843D+00  0.179675D+02  0.126268D+02  0.187762D+01  0.194237D+02
               171           172           173           174           175 
      1  -0.126240D+02  0.213142D+00 -0.109932D+00  0.686357D+00 -0.318109D+01
      2   0.121368D+02 -0.168596D+01 -0.409925D+00  0.450435D+00  0.382538D+01
      3   0.487171D+00  0.147282D+01  0.519858D+00 -0.113679D+01 -0.644287D+00
      4   0.791306D+00  0.527269D+01  0.695350D+01 -0.558538D+01  0.400554D+01
      5  -0.629087D-01 -0.414444D+01 -0.370353D+01  0.822269D+01 -0.198816D+01
      6   0.964193D+01 -0.685696D+01 -0.370588D+01  0.480336D+01 -0.382446D+01
               176           177           178           179           180 
      1  -0.189367D+02  0.894277D+01  0.519405D+01  0.224116D+02 -0.271419D+02
      2   0.201528D+02 -0.811902D+01 -0.301471D+01 -0.152485D+02  0.855119D+01
      3  -0.121610D+01 -0.823746D+00 -0.217934D+01 -0.716309D+01  0.185907D+02
      4   0.599318D+01 -0.411295D+01 -0.952957D+01 -0.822625D+01  0.780632D+01
      5  -0.414456D+01  0.335004D+01  0.787479D+01  0.916373D+01 -0.120260D+02
      6  -0.140641D+02  0.143083D+02  0.929180D+01  0.306039D+02 -0.376065D+02
               181           182           183           184           185 
      1   0.912249D+00 -0.481153D+01 -0.522007D+01 -0.158798D+01 -0.407599D+01
      2  -0.161235D+01  0.495975D+01  0.148390D+00  0.141813D+01  0.279606D+01
      3   0.700104D+00 -0.148221D+00  0.507168D+01  0.169854D+00  0.127993D+01
      4  -0.167049D+01  0.580936D+00  0.283828D+01  0.864860D-01  0.143079D+01
      5  -0.104195D+01  0.299877D+00  0.365764D+00 -0.499754D+00 -0.625248D+00
      6   0.261149D+01  0.200064D+01  0.564341D+01  0.344421D+00  0.175493D+01
               186           187           188           189           190 
      1  -0.130723D+01 -0.403843D+01 -0.663285D+01 -0.195144D+02  0.516373D+02
      2   0.284739D+01  0.981651D+00  0.600745D+01 -0.794930D+01 -0.163685D+02
      3  -0.154017D+01  0.305678D+01  0.625399D+00  0.274637D+02 -0.352689D+02
      4  -0.106838D+01  0.710179D+01 -0.610430D+01  0.194455D+00 -0.554641D+02
      5   0.811600D+00  0.540039D+01 -0.456290D+01 -0.215498D+02 -0.504272D+01
      6   0.433590D+01 -0.498081D+00  0.110796D+02  0.328332D+02  0.344361D+00
               191           192           193           194           195 
      1  -0.119260D+02  0.170185D+01 -0.564768D+01  0.302886D+01  0.754119D+00
      2  -0.364199D+01 -0.546682D+00 -0.309287D+01  0.561362D+01 -0.160962D+01
      3   0.155680D+02 -0.115517D+01  0.874055D+01 -0.864248D+01  0.855505D+00
      4   0.302539D+02 -0.131251D+00  0.175624D+02 -0.125499D+02  0.922851D+00
      5   0.219128D+01  0.909750D+01  0.895228D+00  0.535075D+00 -0.159497D+01
      6  -0.200360D+01 -0.647877D+01 -0.798144D+00 -0.735872D+00  0.208633D+01
               196           197           198           199           200 
      1   0.345221D+01  0.916309D+00  0.288132D+01 -0.238788D+01 -0.145821D+02
      2  -0.120710D+01 -0.314915D+01 -0.236265D+01  0.656823D+01  0.201479D+02
      3  -0.224511D+01  0.223284D+01 -0.518663D+00 -0.418035D+01 -0.556584D+01
      4  -0.426780D+01  0.333789D+01 -0.478916D+01  0.103125D+01  0.132299D+01
      5   0.862184D+01 -0.338643D+01 -0.591150D-01  0.131394D+01  0.137379D+01
      6  -0.502977D+01  0.340610D+01  0.946944D+00 -0.295359D+01 -0.150884D+01
               201           202           203           204           205 
      1   0.219060D+01 -0.904640D+01 -0.318777D+02  0.671240D+01  0.344457D+01
      2  -0.372097D+01  0.100899D+02  0.519077D+02 -0.105291D+02 -0.230390D+01
      3   0.153037D+01 -0.104346D+01 -0.200300D+02  0.381667D+01 -0.114067D+01
      4  -0.168477D+01  0.695632D+01 -0.110133D+02  0.170772D+01 -0.437857D+01
      5  -0.171170D+01  0.197932D+01  0.507444D+01 -0.344062D+01 -0.283350D+00
      6   0.506678D+01 -0.151317D+01 -0.735528D+01  0.887241D+01  0.286753D+01
               206           207 
      1   0.953137D+01 -0.804540D+01
      2  -0.153572D+02  0.680957D+01
      3   0.582578D+01  0.123583D+01
      4   0.574853D+01  0.103244D+00
      5  -0.290893D+01  0.956740D+00
      6   0.891824D+01 -0.440463D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 23:54:33 2021, MaxMem= 10737418240 cpu:           42840.6 elap:            2680.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.27576 -10.34540 -10.33992 -10.30725 -10.30594
 Alpha  occ. eigenvalues --  -10.30576 -10.30016 -10.29963 -10.29908 -10.29829
 Alpha  occ. eigenvalues --  -10.29233  -1.14829  -0.96940  -0.91002  -0.87272
 Alpha  occ. eigenvalues --   -0.84094  -0.80127  -0.74897  -0.72512  -0.69021
 Alpha  occ. eigenvalues --   -0.65258  -0.60950  -0.58984  -0.56739  -0.55904
 Alpha  occ. eigenvalues --   -0.53143  -0.52857  -0.50986  -0.50564  -0.48090
 Alpha  occ. eigenvalues --   -0.46919  -0.45938  -0.45840  -0.44594  -0.43040
 Alpha  occ. eigenvalues --   -0.40898  -0.39472  -0.34279  -0.32512  -0.31850
 Alpha virt. eigenvalues --    0.03530   0.03971   0.04367   0.04640   0.05538
 Alpha virt. eigenvalues --    0.05569   0.05729   0.05958   0.06993   0.07139
 Alpha virt. eigenvalues --    0.07705   0.07951   0.08468   0.10114   0.11239
 Alpha virt. eigenvalues --    0.11879   0.12733   0.13241   0.13635   0.13709
 Alpha virt. eigenvalues --    0.14040   0.14328   0.14828   0.14895   0.15358
 Alpha virt. eigenvalues --    0.15940   0.16401   0.16534   0.16916   0.17223
 Alpha virt. eigenvalues --    0.17624   0.17771   0.18430   0.18870   0.19210
 Alpha virt. eigenvalues --    0.19760   0.20073   0.20342   0.20955   0.21219
 Alpha virt. eigenvalues --    0.22169   0.22725   0.23024   0.23588   0.24682
 Alpha virt. eigenvalues --    0.25322   0.25449   0.25786   0.26945   0.27177
 Alpha virt. eigenvalues --    0.27682   0.28286   0.28720   0.29010   0.29064
 Alpha virt. eigenvalues --    0.29810   0.30301   0.30836   0.31590   0.32253
 Alpha virt. eigenvalues --    0.32581   0.32621   0.33591   0.33921   0.34569
 Alpha virt. eigenvalues --    0.34632   0.35378   0.35650   0.36400   0.36885
 Alpha virt. eigenvalues --    0.37517   0.37910   0.38946   0.39017   0.39579
 Alpha virt. eigenvalues --    0.40313   0.40718   0.41383   0.41672   0.43161
 Alpha virt. eigenvalues --    0.43561   0.43875   0.44448   0.45362   0.45798
 Alpha virt. eigenvalues --    0.46285   0.47136   0.47553   0.48926   0.49564
 Alpha virt. eigenvalues --    0.50038   0.50208   0.50906   0.51322   0.52352
 Alpha virt. eigenvalues --    0.52796   0.52979   0.54345   0.54763   0.55379
 Alpha virt. eigenvalues --    0.55887   0.56807   0.57517   0.58423   0.58706
 Alpha virt. eigenvalues --    0.59344   0.60033   0.60412   0.61285   0.61961
 Alpha virt. eigenvalues --    0.62500   0.62798   0.63280   0.63517   0.64336
 Alpha virt. eigenvalues --    0.64795   0.65338   0.65436   0.65981   0.66923
 Alpha virt. eigenvalues --    0.67498   0.67875   0.69213   0.69690   0.70535
 Alpha virt. eigenvalues --    0.70654   0.71427   0.71908   0.72116   0.72791
 Alpha virt. eigenvalues --    0.73416   0.73982   0.74429   0.74765   0.75475
 Alpha virt. eigenvalues --    0.77012   0.77417   0.77819   0.78566   0.78914
 Alpha virt. eigenvalues --    0.80099   0.81589   0.82045   0.82771   0.83243
 Alpha virt. eigenvalues --    0.84087   0.84954   0.85128   0.85455   0.86105
 Alpha virt. eigenvalues --    0.86858   0.87314   0.88060   0.88445   0.88676
 Alpha virt. eigenvalues --    0.89938   0.90090   0.91671   0.92985   0.93601
 Alpha virt. eigenvalues --    0.94762   0.96276   0.96861   0.97991   0.99188
 Alpha virt. eigenvalues --    0.99797   1.01697   1.02598   1.03438   1.04829
 Alpha virt. eigenvalues --    1.06248   1.07344   1.07403   1.08868   1.09982
 Alpha virt. eigenvalues --    1.11662   1.12435   1.16225   1.17031   1.18202
 Alpha virt. eigenvalues --    1.19548   1.20956   1.22093   1.23245   1.24411
 Alpha virt. eigenvalues --    1.25070   1.26788   1.29685   1.32393   1.33882
 Alpha virt. eigenvalues --    1.37587   1.38333   1.39269   1.40233   1.41749
 Alpha virt. eigenvalues --    1.43591   1.45692   1.46760   1.47209   1.48230
 Alpha virt. eigenvalues --    1.49248   1.49877   1.51489   1.52980   1.54178
 Alpha virt. eigenvalues --    1.54548   1.55762   1.56383   1.58227   1.60241
 Alpha virt. eigenvalues --    1.60818   1.61988   1.62561   1.63979   1.64279
 Alpha virt. eigenvalues --    1.65513   1.67960   1.68768   1.70020   1.70214
 Alpha virt. eigenvalues --    1.71746   1.72640   1.73722   1.74398   1.75219
 Alpha virt. eigenvalues --    1.76469   1.78712   1.78922   1.79990   1.80655
 Alpha virt. eigenvalues --    1.81596   1.82785   1.83333   1.85585   1.86068
 Alpha virt. eigenvalues --    1.86979   1.88562   1.89179   1.90164   1.91377
 Alpha virt. eigenvalues --    1.91799   1.93341   1.95005   1.95511   1.96972
 Alpha virt. eigenvalues --    1.98418   1.99478   2.01610   2.03070   2.03524
 Alpha virt. eigenvalues --    2.04967   2.07436   2.08108   2.08757   2.10092
 Alpha virt. eigenvalues --    2.10963   2.12556   2.13014   2.14196   2.15091
 Alpha virt. eigenvalues --    2.15752   2.17961   2.18335   2.19682   2.21719
 Alpha virt. eigenvalues --    2.22954   2.24045   2.24972   2.26594   2.28124
 Alpha virt. eigenvalues --    2.29189   2.32512   2.34345   2.35336   2.37514
 Alpha virt. eigenvalues --    2.38844   2.40480   2.42193   2.44631   2.46368
 Alpha virt. eigenvalues --    2.47889   2.50175   2.52225   2.55999   2.57359
 Alpha virt. eigenvalues --    2.59299   2.61424   2.62511   2.63126   2.65143
 Alpha virt. eigenvalues --    2.67081   2.69499   2.69688   2.71251   2.75407
 Alpha virt. eigenvalues --    2.75587   2.77639   2.81300   2.84077   2.88861
 Alpha virt. eigenvalues --    2.91937   2.93725   2.96101   2.96816   3.00268
 Alpha virt. eigenvalues --    3.10519   3.13655   3.18643   3.22744   3.25703
 Alpha virt. eigenvalues --    3.32520   3.55003   3.56196   3.60306   3.65406
 Alpha virt. eigenvalues --    3.71296   3.83736   3.87721   3.96382   4.00626
 Alpha virt. eigenvalues --    4.64108
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   16.416250  -5.969528  -7.722500   3.386380  -5.824062   6.260842
     2  C   -5.969528  14.481470   6.474481  -5.990357   3.806343  -6.552085
     3  C   -7.722500   6.474481  33.418069 -14.500478   3.586187  -9.364076
     4  C    3.386380  -5.990357 -14.500478  33.347811 -13.818629   2.518679
     5  C   -5.824062   3.806343   3.586187 -13.818629  30.984032 -10.774415
     6  C    6.260842  -6.552085  -9.364076   2.518679 -10.774415  27.431075
     7  C   -0.314743  -0.022727  -4.576558   0.127977  -4.113506  -0.186740
     8  C    0.010431  -0.040526  -0.390773  -0.675909   0.094267   0.033749
     9  O    0.001506  -0.013183  -0.013877  -0.186142   0.119158  -0.068745
    10  C    0.080146  -0.094259   0.753949  -1.020382   0.875115  -2.367257
    11  H   -1.577785   0.794202   0.769208  -0.114813  -0.050552  -0.228389
    12  H    0.826452  -1.493626  -0.190519  -0.070230  -0.189069   0.722106
    13  H    0.833913  -0.394146  -2.856428   1.600215  -0.565501   0.286403
    14  H   -0.439317   0.804138   0.295754  -0.316110   1.357810  -2.358978
    15  H   -0.094974   0.044136   0.344255   0.497661   0.386329  -0.017104
    16  C    0.117669  -0.042090  -0.541887  -0.260036  -0.077118   0.062326
    17  H    0.011991  -0.006092   0.000407   0.251136  -0.036774  -0.040625
    18  H   -0.020311   0.012575  -0.045041   0.072317  -0.152664   0.124621
    19  H    0.010897   0.026598  -0.075494   0.144573  -0.021475   0.191742
    20  H    0.005803  -0.021059   0.026967  -0.045956   0.173969  -0.100412
    21  H    0.009394   0.007651   0.089726  -0.201322   0.075791  -0.015648
    22  H    0.010331  -0.000727  -0.023689   0.347484  -0.078849  -0.000586
    23  H    0.043706  -0.011713  -0.094853  -0.213503  -0.029295   0.004646
               7          8          9         10         11         12
     1  C   -0.314743   0.010431   0.001506   0.080146  -1.577785   0.826452
     2  C   -0.022727  -0.040526  -0.013183  -0.094259   0.794202  -1.493626
     3  C   -4.576558  -0.390773  -0.013877   0.753949   0.769208  -0.190519
     4  C    0.127977  -0.675909  -0.186142  -1.020382  -0.114813  -0.070230
     5  C   -4.113506   0.094267   0.119158   0.875115  -0.050552  -0.189069
     6  C   -0.186740   0.033749  -0.068745  -2.367257  -0.228389   0.722106
     7  C   16.297279   0.366026   0.277604  -1.118609   0.048047  -0.031955
     8  C    0.366026   5.698531   0.170814  -0.381180   0.001326   0.001969
     9  O    0.277604   0.170814   8.906330  -0.095515  -0.000103   0.000428
    10  C   -1.118609  -0.381180  -0.095515   8.513769  -0.024226   0.051478
    11  H    0.048047   0.001326  -0.000103  -0.024226   2.367460  -0.115693
    12  H   -0.031955   0.001969   0.000428   0.051478  -0.115693   2.310722
    13  H   -0.180851   0.091610   0.003443  -0.013100  -0.172546  -0.026631
    14  H    0.014018   0.025238   0.000030  -0.054235  -0.028101  -0.152044
    15  H   -1.273126  -0.128404   0.002253   0.121583  -0.002302   0.000991
    16  C    0.619460   0.042429  -0.055040  -0.227290   0.016911  -0.001554
    17  H   -0.024683  -0.149201  -0.219359  -0.058531   0.000304  -0.000138
    18  H   -0.190214   0.127544  -0.073991   0.255551   0.001107   0.000042
    19  H    0.023891  -0.028064  -0.124888  -0.289297   0.000454  -0.000049
    20  H    0.057287  -0.013206  -0.002293   0.246293  -0.001261   0.002044
    21  H   -0.034900  -0.149538  -0.002775  -0.009130   0.001336   0.000071
    22  H   -0.340141   0.098316   0.004861   0.005157   0.001144   0.000036
    23  H    0.639397  -0.109141  -0.006629   0.003628  -0.000708  -0.000853
              13         14         15         16         17         18
     1  C    0.833913  -0.439317  -0.094974   0.117669   0.011991  -0.020311
     2  C   -0.394146   0.804138   0.044136  -0.042090  -0.006092   0.012575
     3  C   -2.856428   0.295754   0.344255  -0.541887   0.000407  -0.045041
     4  C    1.600215  -0.316110   0.497661  -0.260036   0.251136   0.072317
     5  C   -0.565501   1.357810   0.386329  -0.077118  -0.036774  -0.152664
     6  C    0.286403  -2.358978  -0.017104   0.062326  -0.040625   0.124621
     7  C   -0.180851   0.014018  -1.273126   0.619460  -0.024683  -0.190214
     8  C    0.091610   0.025238  -0.128404   0.042429  -0.149201   0.127544
     9  O    0.003443   0.000030   0.002253  -0.055040  -0.219359  -0.073991
    10  C   -0.013100  -0.054235   0.121583  -0.227290  -0.058531   0.255551
    11  H   -0.172546  -0.028101  -0.002302   0.016911   0.000304   0.001107
    12  H   -0.026631  -0.152044   0.000991  -0.001554  -0.000138   0.000042
    13  H    3.287232   0.022059   0.010453   0.123831   0.000754   0.005784
    14  H    0.022059   2.720600  -0.003034   0.003538   0.000512   0.000744
    15  H    0.010453  -0.003034   1.802237  -0.287322  -0.186163   0.108984
    16  C    0.123831   0.003538  -0.287322   4.977792   0.185315  -0.213097
    17  H    0.000754   0.000512  -0.186163   0.185315   2.107805  -0.447053
    18  H    0.005784   0.000744   0.108984  -0.213097  -0.447053   1.713660
    19  H   -0.006410  -0.024906   0.009214   0.019784   0.003862   0.010889
    20  H   -0.001171   0.000139   0.000984  -0.020540   0.000664  -0.012960
    21  H   -0.037649  -0.000503   0.073352   0.355281  -0.009980  -0.014171
    22  H    0.021682   0.000505  -0.008951   0.159460  -0.009554   0.011067
    23  H   -0.097292  -0.000667  -0.127821   0.175694   0.026674  -0.021914
              19         20         21         22         23
     1  C    0.010897   0.005803   0.009394   0.010331   0.043706
     2  C    0.026598  -0.021059   0.007651  -0.000727  -0.011713
     3  C   -0.075494   0.026967   0.089726  -0.023689  -0.094853
     4  C    0.144573  -0.045956  -0.201322   0.347484  -0.213503
     5  C   -0.021475   0.173969   0.075791  -0.078849  -0.029295
     6  C    0.191742  -0.100412  -0.015648  -0.000586   0.004646
     7  C    0.023891   0.057287  -0.034900  -0.340141   0.639397
     8  C   -0.028064  -0.013206  -0.149538   0.098316  -0.109141
     9  O   -0.124888  -0.002293  -0.002775   0.004861  -0.006629
    10  C   -0.289297   0.246293  -0.009130   0.005157   0.003628
    11  H    0.000454  -0.001261   0.001336   0.001144  -0.000708
    12  H   -0.000049   0.002044   0.000071   0.000036  -0.000853
    13  H   -0.006410  -0.001171  -0.037649   0.021682  -0.097292
    14  H   -0.024906   0.000139  -0.000503   0.000505  -0.000667
    15  H    0.009214   0.000984   0.073352  -0.008951  -0.127821
    16  C    0.019784  -0.020540   0.355281   0.159460   0.175694
    17  H    0.003862   0.000664  -0.009980  -0.009554   0.026674
    18  H    0.010889  -0.012960  -0.014171   0.011067  -0.021914
    19  H    1.697703  -0.344082   0.001389   0.000307   0.002085
    20  H   -0.344082   1.067568   0.001226  -0.002071   0.000673
    21  H    0.001389   0.001226   1.661272  -0.355380  -0.246564
    22  H    0.000307  -0.002071  -0.355380   1.767661  -0.409417
    23  H    0.002085   0.000673  -0.246564  -0.409417   1.706173
 Mulliken charges:
               1
     1  C   -0.062490
     2  C    0.200525
     3  C    0.637171
     4  C    1.119634
     5  C    0.272908
     6  C    0.438871
     7  C   -0.062232
     8  C    1.303691
     9  O   -0.623887
    10  C    0.846343
    11  H   -0.685020
    12  H   -0.643979
    13  H   -0.935654
    14  H   -0.867188
    15  H   -0.273232
    16  C    0.866484
    17  H   -0.401271
    18  H   -0.253466
    19  H   -0.228723
    20  H   -0.018604
    21  H   -0.198930
    22  H   -0.198646
    23  H   -0.232306
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.747510
     2  C   -0.443455
     3  C   -0.298482
     4  C    1.119634
     5  C    0.272908
     6  C   -0.428317
     7  C   -0.335463
     8  C    0.648954
     9  O   -0.623887
    10  C    0.599017
    16  C    0.236602
 Electronic spatial extent (au):  <R**2>=           1674.8851
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.3309    Y=              0.8650    Z=              0.7241  Tot=              1.1756
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.4694   YY=            -62.6155   ZZ=            -69.1019
   XY=             -4.0811   XZ=             -1.1207   YZ=             -2.6138
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.5928   YY=              2.4468   ZZ=             -4.0396
   XY=             -4.0811   XZ=             -1.1207   YZ=             -2.6138
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.0494  YYY=             -6.5482  ZZZ=             -0.5331  XYY=              8.8641
  XXY=              8.0181  XXZ=              2.6463  XZZ=             -9.7927  YZZ=             -2.3253
  YYZ=             -0.4011  XYZ=              2.0298
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1251.9412 YYYY=           -785.8188 ZZZZ=           -130.3987 XXXY=             -9.2207
 XXXZ=              9.4842 YYYX=              1.0261 YYYZ=             -6.6027 ZZZX=              1.3642
 ZZZY=              1.2190 XXYY=           -364.9757 XXZZ=           -264.0645 YYZZ=           -162.7600
 XXYZ=            -11.1590 YYXZ=             -3.4394 ZZXY=              1.1396
 N-N= 6.057497327798D+02 E-N=-2.288289221809D+03  KE= 4.606352354623D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 23:54:34 2021, MaxMem= 10737418240 cpu:               9.0 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.45743460D-01 3.25034285D-01 2.64045368D-01
 Polarizability= 1.40762099D+02-3.06458608D+00 1.25808478D+02
                 7.49566707D-01-4.70672392D+00 7.75810690D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.4079   -0.4077       -1.2848   -1.2868
 2      0.4079    0.4077        2.2884    2.2894       -8.2353   -8.2384
 3      1.2848    1.2868       32.5752   32.5700       -2.2915   -2.2894
 4     -2.2884   -2.2894        0.0000    0.0000        1.2863    1.2868
 5    -24.3399  -24.3316       -1.2863   -1.2868       -0.4033   -0.4077
 6      2.2915    2.2894        0.4033    0.4077        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.2232    1.2232       -3.8604   -3.8604
 2     -6.8683   -6.8683        0.0000    0.0000       -3.8604   -3.8604
 3     -6.8683   -6.8683        1.2232    1.2232       -0.0000    0.0000
 4      1.2232    1.2232        6.8683    6.8683      -24.7152  -24.7152
 5      3.8604    3.8604       97.7099   97.7099       -6.8683   -6.8683
 6    -72.9947  -72.9947       -3.8604   -3.8604       -1.2232   -1.2232
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1092    0.0000        1.1899    1.6309        4.8498    5.1472
 2     -1.7721   -1.6309       -8.5263   -9.1578       33.0685   32.9536
 3     -5.1014   -5.1472     -130.3522 -130.2799        9.1090    9.1578
 4      9.0996    9.1578       -0.0284    0.0000       -5.0938   -5.1472
 5     97.5558   97.3263        5.0676    5.1472        1.8670    1.6309
 6     -9.0765   -9.1578       -1.7789   -1.6309       -0.0245    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0684    0.0000       -4.5727   -4.3413       -5.5567   -5.7996
 2      4.7116    4.3413      -47.8516  -47.8492       32.9766   33.3512
 3      6.0924    5.7996        8.0781    9.5296       47.5210   47.8492
 4     47.9145   47.8492        0.1643    0.0000        5.9277    5.7996
 5    -42.2447  -42.8808       -6.1086   -5.7996       -4.3228   -4.3413
 6    -47.7610  -47.8492        4.4783    4.3413       -0.2393    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -11.1062  -11.1520      -36.0564  -36.4336        3.6762    4.0228
 2     71.2150   71.3006      -32.6065  -32.9898        3.8564    4.0228
 3     71.3986   71.3006      -35.9346  -36.4336        7.0682    7.3175
 4     -3.1540   -3.4439      -82.2683  -82.4526       25.1934   25.3191
 5      3.9298    3.2947       26.7340   28.5809       81.8535   82.4526
 6    -53.5512  -53.8999       -3.8451   -3.2947        3.1744    3.4439
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4970   -2.6877    0.0003    0.0004    0.0006    3.9771
 Low frequencies ---   70.1151  123.7402  200.9643
 Diagonal vibrational polarizability:
        5.0317686       3.6155170       7.9829815
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.1145               123.7388               200.9643
 Red. masses --      2.8599                 2.8179                 2.1808
 Frc consts  --      0.0083                 0.0254                 0.0519
 IR Inten    --      0.3599                 0.2363                 1.1164
 RamAct Fr= 1--      2.0560                 2.6587                 1.7701
  Dep-P Fr= 1--      0.7497                 0.7205                 0.6864
  Dep-U Fr= 1--      0.8569                 0.8375                 0.8140
 Alpha2 Fr= 1--      0.0000                 0.0014                 0.0020
 Beta2  Fr= 1--      0.2936                 0.3711                 0.2402
 AlphaG Fr= 1--     -0.0003                -0.0025                 0.0032
 Gamma2 Fr= 1--      1.0049                 0.2829                 0.2606
 Delta2 Fr= 1--      0.1449                 0.1657                 0.2163
 Raman1 Fr= 1--       8.224                 10.635                  7.081
 ROA1   Fr= 1--     101.110                 32.459                 31.939
 CID1   Fr= 1--      12.294                  3.052                  4.511
 Raman2 Fr= 1--       3.524                  4.454                  2.882
 ROA2   Fr= 1--      22.959                  5.463                  4.524
 CID2   Fr= 1--       6.516                  1.227                  1.570
 Raman3 Fr= 1--       7.047                  8.907                  5.764
 ROA3   Fr= 1--     101.110                 32.459                 31.939
 CID3   Fr= 1--      14.347                  3.644                  5.541
 RC180  Fr= 1--       0.714                  0.675                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.13    -0.02   0.01  -0.03    -0.03   0.04   0.13
     2   6    -0.00   0.00   0.00    -0.03   0.04   0.18    -0.01   0.03   0.03
     3   6     0.01  -0.02  -0.13    -0.01  -0.02  -0.17    -0.02   0.01   0.00
     4   6    -0.00   0.00  -0.00    -0.01  -0.02  -0.13    -0.00  -0.02  -0.11
     5   6    -0.01   0.02   0.09    -0.01  -0.00  -0.05     0.00  -0.02  -0.11
     6   6    -0.01   0.02   0.10    -0.02   0.03   0.14     0.01  -0.00  -0.11
     7   6     0.01   0.03   0.01    -0.02  -0.00  -0.01     0.00  -0.01  -0.07
     8   6    -0.05  -0.01  -0.17     0.04  -0.00   0.11    -0.03   0.02  -0.07
     9   8     0.06   0.00  -0.11    -0.04   0.02   0.00    -0.02  -0.04   0.07
    10   6    -0.02   0.04   0.12     0.01  -0.04  -0.16    -0.02   0.02   0.10
    11   1     0.01  -0.03  -0.23    -0.03   0.01  -0.04    -0.04   0.07   0.28
    12   1    -0.00   0.01   0.01    -0.04   0.07   0.34    -0.01   0.05   0.09
    13   1     0.01  -0.03  -0.23    -0.02  -0.03  -0.28    -0.04   0.01   0.05
    14   1    -0.01   0.03   0.18    -0.02   0.05   0.27     0.02  -0.00  -0.13
    15   1     0.04   0.20   0.02    -0.16   0.01   0.02    -0.04   0.06  -0.06
    16   6     0.02  -0.07   0.21     0.10  -0.01   0.08     0.11  -0.04   0.05
    17   1     0.00  -0.01  -0.33    -0.01   0.01   0.27    -0.01   0.01  -0.15
    18   1    -0.22  -0.03  -0.17     0.22  -0.03   0.10    -0.11   0.10  -0.06
    19   1     0.04  -0.04   0.27    -0.00   0.08  -0.34    -0.06  -0.10   0.27
    20   1    -0.18   0.18   0.14     0.10  -0.24  -0.21     0.01   0.24   0.17
    21   1    -0.03  -0.27   0.21     0.29  -0.03   0.03     0.52  -0.01  -0.04
    22   1     0.03  -0.02   0.20     0.08  -0.01   0.27     0.06  -0.15   0.45
    23   1     0.07  -0.02   0.38     0.03  -0.01  -0.00    -0.13   0.02  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    231.5161               281.2887               317.3786
 Red. masses --      1.3700                 2.6069                 2.5440
 Frc consts  --      0.0433                 0.1215                 0.1510
 IR Inten    --      0.3468                 0.0741                 8.4091
 RamAct Fr= 1--      0.7247                 0.4473                 0.3156
  Dep-P Fr= 1--      0.7484                 0.2657                 0.4309
  Dep-U Fr= 1--      0.8561                 0.4199                 0.6023
 Alpha2 Fr= 1--      0.0000                 0.0051                 0.0021
 Beta2  Fr= 1--      0.1034                 0.0313                 0.0317
 AlphaG Fr= 1--      0.0003                -0.0017                 0.0071
 Gamma2 Fr= 1--     -0.1385                -0.2561                -0.1923
 Delta2 Fr= 1--     -0.0380                 0.0376                -0.0595
 Raman1 Fr= 1--       2.899                  1.789                  1.263
 ROA1   Fr= 1--     -14.515                -23.383                -20.370
 CID1   Fr= 1--      -5.007                -13.069                -16.133
 Raman2 Fr= 1--       1.241                  0.376                  0.380
 ROA2   Fr= 1--      -3.021                 -6.447                 -4.140
 CID2   Fr= 1--      -2.434                -17.165                -10.890
 Raman3 Fr= 1--       2.482                  0.751                  0.760
 ROA3   Fr= 1--     -14.515                -23.383                -20.370
 CID3   Fr= 1--      -5.849                -31.127                -26.788
 RC180  Fr= 1--       0.712                 -0.160                  0.205
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.05    -0.10   0.08  -0.01     0.03   0.02  -0.06
     2   6    -0.00  -0.00  -0.04    -0.03   0.09  -0.05     0.02   0.01  -0.05
     3   6    -0.02  -0.00   0.04    -0.12  -0.02   0.05     0.02   0.03   0.08
     4   6    -0.01  -0.01   0.07    -0.04  -0.09   0.06     0.02   0.02   0.05
     5   6    -0.00  -0.01   0.07     0.00  -0.07   0.06    -0.00   0.02   0.04
     6   6    -0.00  -0.00   0.05     0.04   0.02   0.01     0.00   0.03   0.08
     7   6    -0.00  -0.01   0.03     0.00  -0.04   0.03     0.05   0.00  -0.07
     8   6    -0.00  -0.01  -0.00    -0.04  -0.01  -0.01    -0.07   0.05  -0.12
     9   8     0.03   0.02  -0.08     0.01   0.01  -0.05    -0.11  -0.08   0.17
    10   6    -0.01  -0.01  -0.01    -0.02  -0.06   0.00     0.03  -0.04  -0.11
    11   1    -0.01  -0.01  -0.12    -0.15   0.12  -0.04     0.04   0.00  -0.14
    12   1     0.01  -0.01  -0.11    -0.00   0.15  -0.11     0.02  -0.01  -0.13
    13   1    -0.03  -0.00   0.05    -0.19  -0.04   0.06     0.01   0.03   0.11
    14   1     0.01   0.00   0.06     0.13   0.04  -0.01     0.01   0.04   0.12
    15   1     0.02  -0.04   0.03     0.03  -0.05   0.02     0.14   0.07  -0.07
    16   6     0.01   0.04  -0.03     0.25   0.06  -0.04     0.03  -0.05   0.02
    17   1     0.00  -0.01  -0.01    -0.03  -0.02  -0.05     0.01   0.07  -0.38
    18   1    -0.02  -0.07  -0.01    -0.09  -0.05  -0.01    -0.33   0.25  -0.11
    19   1     0.03   0.01  -0.03    -0.04  -0.05  -0.01     0.02   0.15  -0.41
    20   1    -0.07  -0.06  -0.03    -0.09  -0.09  -0.01     0.23  -0.36  -0.18
    21   1     0.50   0.30  -0.12     0.07   0.00  -0.00     0.10  -0.12  -0.00
    22   1    -0.08  -0.23   0.41     0.33   0.41  -0.22     0.02  -0.08   0.10
    23   1    -0.37   0.08  -0.43     0.59  -0.11   0.04    -0.03  -0.00   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    383.8280               401.0997               435.0432
 Red. masses --      2.9276                 3.0497                 4.3217
 Frc consts  --      0.2541                 0.2891                 0.4819
 IR Inten    --      0.4174                 0.9095                 0.8484
 RamAct Fr= 1--      2.0635                 0.3766                 3.5537
  Dep-P Fr= 1--      0.1173                 0.4622                 0.6332
  Dep-U Fr= 1--      0.2099                 0.6322                 0.7754
 Alpha2 Fr= 1--      0.0346                 0.0022                 0.0075
 Beta2  Fr= 1--      0.0722                 0.0397                 0.4593
 AlphaG Fr= 1--      0.0220                 0.0008                -0.0118
 Gamma2 Fr= 1--     -0.5606                 0.2083                 0.8336
 Delta2 Fr= 1--     -0.1751                 0.0639                 0.4964
 Raman1 Fr= 1--       8.254                  1.507                 14.215
 ROA1   Fr= 1--     -59.422                 22.044                 95.914
 CID1   Fr= 1--      -7.199                 14.632                  6.747
 Raman2 Fr= 1--       0.866                  0.476                  5.511
 ROA2   Fr= 1--     -12.053                  4.489                 16.036
 CID2   Fr= 1--     -13.913                  9.426                  2.910
 Raman3 Fr= 1--       1.733                  0.952                 11.022
 ROA3   Fr= 1--     -59.422                 22.044                 95.914
 CID3   Fr= 1--     -34.296                 23.144                  8.702
 RC180  Fr= 1--      -0.580                  0.264                  0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.00     0.01  -0.08   0.02    -0.15  -0.06   0.08
     2   6     0.07   0.06   0.13    -0.03  -0.08   0.05    -0.06  -0.05  -0.05
     3   6    -0.00  -0.09  -0.14     0.03   0.03  -0.05    -0.13  -0.09  -0.04
     4   6     0.02  -0.09   0.09    -0.06   0.11   0.02    -0.09  -0.07  -0.05
     5   6     0.08  -0.10  -0.03    -0.03   0.12  -0.02    -0.01  -0.05   0.11
     6   6     0.13  -0.03  -0.11    -0.08   0.00  -0.06    -0.01  -0.07  -0.03
     7   6     0.01   0.01   0.14    -0.11   0.03   0.09    -0.02   0.15  -0.12
     8   6    -0.12   0.05  -0.03    -0.08  -0.13  -0.03     0.12   0.13  -0.07
     9   8    -0.03   0.06   0.03     0.09  -0.13   0.03     0.21   0.08   0.09
    10   6    -0.01  -0.03  -0.03     0.13   0.02  -0.01     0.14  -0.10   0.02
    11   1    -0.04   0.07  -0.01     0.05  -0.12   0.02    -0.18  -0.02   0.16
    12   1     0.08   0.14   0.28    -0.05  -0.13   0.10    -0.04   0.01  -0.14
    13   1    -0.06  -0.13  -0.29     0.16   0.05  -0.10    -0.15  -0.10  -0.10
    14   1     0.21  -0.03  -0.21    -0.20  -0.04  -0.12    -0.01  -0.09  -0.12
    15   1     0.10   0.01   0.12    -0.12   0.05   0.10     0.01   0.24  -0.11
    16   6    -0.09   0.08   0.00     0.06   0.16   0.01    -0.07   0.10   0.05
    17   1    -0.03   0.08  -0.32    -0.04  -0.24  -0.24     0.09  -0.07  -0.07
    18   1    -0.44   0.04  -0.03    -0.30  -0.15  -0.03     0.14   0.29  -0.06
    19   1    -0.12  -0.03  -0.09     0.25   0.09  -0.06     0.13   0.05  -0.24
    20   1     0.01  -0.07  -0.04     0.22  -0.05  -0.02     0.19  -0.39  -0.06
    21   1    -0.13   0.27   0.02     0.10   0.28   0.00    -0.06  -0.04   0.04
    22   1    -0.10  -0.05  -0.07     0.10   0.37   0.01    -0.09   0.01   0.08
    23   1    -0.17   0.07  -0.12     0.23  -0.02  -0.15    -0.14   0.20   0.17
                     10                     11                     12
                      A                      A                      A
 Frequencies --    453.2907               501.4571               535.4541
 Red. masses --      3.2336                 4.1877                 4.5117
 Frc consts  --      0.3915                 0.6204                 0.7621
 IR Inten    --      5.8594                 1.8608                 1.8224
 RamAct Fr= 1--      1.3393                 2.6010                10.4861
  Dep-P Fr= 1--      0.4155                 0.7012                 0.0630
  Dep-U Fr= 1--      0.5871                 0.8243                 0.1185
 Alpha2 Fr= 1--      0.0094                 0.0022                 0.2008
 Beta2  Fr= 1--      0.1310                 0.3573                 0.2072
 AlphaG Fr= 1--     -0.0075                -0.0022                -0.0299
 Gamma2 Fr= 1--      1.2862                -1.7612                -1.1395
 Delta2 Fr= 1--      0.1403                -0.2667                -0.2165
 Raman1 Fr= 1--       5.357                 10.404                 41.944
 ROA1   Fr= 1--     127.967               -177.606               -116.323
 CID1   Fr= 1--      23.886                -17.071                 -2.773
 Raman2 Fr= 1--       1.573                  4.288                  2.486
 ROA2   Fr= 1--      29.747                -40.135                -25.616
 CID2   Fr= 1--      18.917                 -9.360                -10.304
 Raman3 Fr= 1--       3.145                  8.576                  4.972
 ROA3   Fr= 1--     127.967               -177.606               -116.323
 CID3   Fr= 1--      40.688                -20.709                -23.396
 RC180  Fr= 1--       0.174                  0.649                 -0.763
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.06   0.11    -0.03   0.04  -0.15     0.14   0.09   0.13
     2   6    -0.07   0.02   0.02    -0.16   0.06   0.11     0.12   0.05  -0.14
     3   6     0.04   0.05  -0.17    -0.02   0.06   0.06     0.10  -0.08  -0.05
     4   6     0.04   0.06   0.13     0.05   0.01   0.10     0.01  -0.04  -0.16
     5   6    -0.08   0.05   0.23    -0.07  -0.09  -0.17    -0.05  -0.07   0.08
     6   6    -0.07   0.01  -0.16    -0.10  -0.01  -0.03     0.04   0.11   0.07
     7   6     0.09  -0.03  -0.02     0.17   0.10   0.06    -0.05   0.12   0.01
     8   6     0.08  -0.01  -0.01     0.20   0.00  -0.07     0.02  -0.05  -0.03
     9   8    -0.06  -0.05  -0.02    -0.01  -0.14   0.01    -0.10  -0.14  -0.05
    10   6    -0.06  -0.03   0.01    -0.03  -0.14   0.02    -0.10  -0.18   0.04
    11   1     0.06   0.02   0.15     0.03  -0.03  -0.29     0.07   0.17   0.32
    12   1    -0.08  -0.04  -0.06    -0.18   0.06   0.29     0.11  -0.06  -0.26
    13   1     0.04  -0.01  -0.51    -0.12   0.05   0.11     0.06  -0.07   0.04
    14   1    -0.03  -0.04  -0.52    -0.04   0.02   0.06     0.11   0.14   0.15
    15   1     0.17  -0.06  -0.04     0.29   0.19   0.05    -0.15   0.24   0.04
    16   6     0.04  -0.08  -0.02    -0.01   0.11   0.03    -0.07   0.21   0.07
    17   1     0.06   0.07   0.09     0.20   0.07  -0.03    -0.02  -0.06   0.11
    18   1     0.17  -0.02  -0.01     0.24   0.00  -0.07     0.15  -0.10  -0.03
    19   1     0.09   0.12  -0.13    -0.04  -0.27   0.21    -0.05  -0.15   0.02
    20   1    -0.13  -0.25  -0.06     0.01   0.11   0.10    -0.19  -0.21   0.01
    21   1     0.08  -0.10  -0.03    -0.10   0.23   0.06    -0.10   0.28   0.08
    22   1     0.03  -0.11   0.02    -0.03  -0.05  -0.08    -0.07   0.20   0.02
    23   1     0.01  -0.05  -0.01    -0.11   0.16  -0.00    -0.06   0.18   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    591.6772               660.4895               725.6996
 Red. masses --      2.9716                 4.5214                 4.0083
 Frc consts  --      0.6129                 1.1621                 1.2437
 IR Inten    --      2.1589                10.6531                 3.5501
 RamAct Fr= 1--      2.2653                 2.6831                12.2970
  Dep-P Fr= 1--      0.3085                 0.4922                 0.0688
  Dep-U Fr= 1--      0.4715                 0.6597                 0.1287
 Alpha2 Fr= 1--      0.0226                 0.0137                 0.2322
 Beta2  Fr= 1--      0.1780                 0.2950                 0.2637
 AlphaG Fr= 1--      0.0151                 0.0017                 0.0661
 Gamma2 Fr= 1--      0.9490                -0.2746                -0.6300
 Delta2 Fr= 1--      0.2449                -0.3431                 0.0516
 Raman1 Fr= 1--       9.061                 10.732                 49.188
 ROA1   Fr= 1--      98.938                -37.339                -58.830
 CID1   Fr= 1--      10.919                 -3.479                 -1.196
 Raman2 Fr= 1--       2.136                  3.540                  3.165
 ROA2   Fr= 1--      20.816                 -3.845                -15.533
 CID2   Fr= 1--       9.745                 -1.086                 -4.909
 Raman3 Fr= 1--       4.272                  7.080                  6.329
 ROA3   Fr= 1--      98.938                -37.339                -58.830
 CID3   Fr= 1--      23.158                 -5.274                 -9.295
 RC180  Fr= 1--      -0.057                  0.319                 -0.743
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05   0.10     0.20   0.08  -0.07     0.02   0.03  -0.15
     2   6    -0.13  -0.03  -0.15    -0.04   0.06   0.04    -0.09   0.01   0.11
     3   6    -0.00   0.10  -0.10     0.11  -0.10   0.06     0.04   0.23   0.07
     4   6     0.10  -0.01  -0.13    -0.03  -0.04  -0.05     0.11   0.03  -0.18
     5   6     0.01  -0.01  -0.02    -0.17  -0.05  -0.02     0.06  -0.05   0.17
     6   6    -0.06  -0.06   0.10    -0.18   0.19  -0.10     0.09  -0.20  -0.09
     7   6     0.14  -0.06   0.17    -0.03  -0.04   0.03    -0.07   0.01  -0.06
     8   6    -0.00  -0.01   0.02    -0.04   0.03   0.05    -0.08  -0.03   0.02
     9   8     0.04   0.03   0.01     0.18   0.15   0.02     0.01   0.02  -0.02
    10   6     0.01   0.02  -0.01    -0.02  -0.16   0.06    -0.05  -0.09   0.06
    11   1     0.02  -0.01   0.38     0.17   0.11   0.02     0.17  -0.11   0.06
    12   1    -0.13   0.00  -0.16    -0.14  -0.21   0.24    -0.06   0.16   0.24
    13   1    -0.06   0.11   0.07     0.04  -0.08   0.24     0.03   0.29   0.40
    14   1    -0.05  -0.03   0.29    -0.14   0.21   0.01     0.19  -0.18  -0.13
    15   1     0.04  -0.06   0.18    -0.10  -0.14   0.03    -0.21  -0.01  -0.03
    16   6     0.01  -0.02  -0.01     0.02  -0.10  -0.04    -0.03   0.05   0.01
    17   1     0.12   0.12  -0.32     0.03  -0.06  -0.25    -0.09  -0.09   0.03
    18   1    -0.38  -0.09   0.02    -0.35   0.04   0.05    -0.07  -0.03   0.02
    19   1     0.00   0.05  -0.06    -0.08  -0.07  -0.11    -0.02   0.04  -0.13
    20   1     0.04  -0.04  -0.02    -0.01  -0.34   0.01    -0.15  -0.35  -0.03
    21   1    -0.17   0.23   0.05     0.02  -0.11  -0.04     0.01  -0.04  -0.00
    22   1    -0.00  -0.19  -0.23     0.02  -0.08  -0.03    -0.02   0.13   0.08
    23   1    -0.07  -0.03  -0.11     0.03  -0.11  -0.03     0.01   0.05   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    750.3471               771.6745               838.8694
 Red. masses --      1.9002                 1.8036                 4.0448
 Frc consts  --      0.6303                 0.6328                 1.6770
 IR Inten    --     29.2085                28.5776                 0.8743
 RamAct Fr= 1--      5.7654                 3.7851                 4.4240
  Dep-P Fr= 1--      0.1325                 0.3063                 0.1721
  Dep-U Fr= 1--      0.2340                 0.4690                 0.2937
 Alpha2 Fr= 1--      0.0931                 0.0381                 0.0646
 Beta2  Fr= 1--      0.2248                 0.2958                 0.2166
 AlphaG Fr= 1--     -0.0114                 0.0125                -0.0226
 Gamma2 Fr= 1--      0.1668                -1.0052                 0.4116
 Delta2 Fr= 1--      0.1650                 0.0334                 0.1669
 Raman1 Fr= 1--      23.062                 15.141                 17.696
 ROA1   Fr= 1--      21.289                -95.429                 44.851
 CID1   Fr= 1--       0.923                 -6.303                  2.535
 Raman2 Fr= 1--       2.698                  3.550                  2.599
 ROA2   Fr= 1--       2.682                -24.391                  8.542
 CID2   Fr= 1--       0.994                 -6.871                  3.287
 Raman3 Fr= 1--       5.396                  7.100                  5.198
 ROA3   Fr= 1--      21.289                -95.429                 44.851
 CID3   Fr= 1--       3.945                -13.440                  8.629
 RC180  Fr= 1--      -0.532                 -0.062                 -0.413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.07  -0.09     0.02   0.02  -0.00     0.13   0.14  -0.05
     2   6     0.07  -0.01   0.00    -0.01  -0.02  -0.12    -0.22   0.06  -0.02
     3   6    -0.05  -0.08  -0.00     0.03   0.04  -0.09     0.07  -0.18   0.02
     4   6    -0.04  -0.02  -0.06    -0.00   0.04   0.17     0.07  -0.16   0.01
     5   6    -0.02   0.07   0.10     0.02  -0.03  -0.06     0.01  -0.05   0.07
     6   6     0.01   0.06  -0.09     0.01  -0.04   0.00    -0.06  -0.07   0.01
     7   6     0.06  -0.01   0.05    -0.06   0.01  -0.05     0.00  -0.00  -0.07
     8   6     0.05   0.00  -0.02    -0.03   0.00  -0.00    -0.08  -0.05  -0.00
     9   8    -0.04  -0.03  -0.01     0.02   0.01   0.00    -0.01  -0.04   0.01
    10   6     0.00   0.07   0.02    -0.01  -0.05   0.00     0.10   0.25  -0.06
    11   1    -0.18   0.10   0.45     0.04   0.04   0.50     0.14   0.14   0.18
    12   1     0.04   0.07   0.50    -0.05   0.09   0.52    -0.27  -0.08   0.06
    13   1    -0.05  -0.00   0.48     0.03   0.07   0.06    -0.24  -0.23   0.16
    14   1    -0.09   0.07   0.18     0.01   0.03   0.49     0.11  -0.04  -0.10
    15   1     0.05   0.06   0.06     0.09  -0.06  -0.08     0.07   0.02  -0.07
    16   6     0.02  -0.01   0.00    -0.01  -0.00  -0.01    -0.02   0.09   0.02
    17   1     0.07   0.11  -0.01    -0.07  -0.09   0.09    -0.16  -0.15   0.22
    18   1     0.05  -0.03  -0.02     0.08   0.05  -0.00     0.17  -0.04  -0.00
    19   1     0.13   0.17  -0.07    -0.07  -0.07   0.01     0.20   0.24   0.01
    20   1    -0.04  -0.07  -0.03     0.00  -0.02   0.01     0.16   0.29  -0.04
    21   1    -0.07   0.11   0.03     0.11  -0.16  -0.05    -0.03  -0.01   0.02
    22   1     0.01  -0.11  -0.11    -0.00   0.13   0.15    -0.03   0.03   0.07
    23   1    -0.03  -0.01  -0.06     0.06  -0.01   0.06    -0.08   0.17   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    878.4612               910.0244               942.4821
 Red. masses --      1.3563                 1.6494                 1.3594
 Frc consts  --      0.6167                 0.8048                 0.7114
 IR Inten    --      0.0716                 4.7759                 0.9822
 RamAct Fr= 1--      0.9862                 1.0239                 0.4383
  Dep-P Fr= 1--      0.7258                 0.3926                 0.6021
  Dep-U Fr= 1--      0.8411                 0.5638                 0.7516
 Alpha2 Fr= 1--      0.0004                 0.0078                 0.0012
 Beta2  Fr= 1--      0.1383                 0.0962                 0.0549
 AlphaG Fr= 1--     -0.0003                 0.0189                 0.0017
 Gamma2 Fr= 1--      0.1604                 0.7306                 0.1777
 Delta2 Fr= 1--      0.1898                 0.5511                -0.0988
 Raman1 Fr= 1--       3.945                  4.096                  1.753
 ROA1   Fr= 1--      21.474                 87.771                 13.897
 CID1   Fr= 1--       5.444                 21.430                  7.927
 Raman2 Fr= 1--       1.659                  1.155                  0.659
 ROA2   Fr= 1--       2.332                 13.125                  5.056
 CID2   Fr= 1--       1.406                 11.367                  7.673
 Raman3 Fr= 1--       3.318                  2.309                  1.318
 ROA3   Fr= 1--      21.474                 87.771                 13.897
 CID3   Fr= 1--       6.472                 38.008                 10.547
 RC180  Fr= 1--       0.682                  0.128                  0.503
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.06    -0.04  -0.04  -0.00    -0.01   0.01   0.05
     2   6    -0.00  -0.00  -0.04     0.02  -0.01   0.00    -0.01   0.01   0.08
     3   6    -0.00  -0.00   0.10    -0.02   0.00  -0.00     0.01  -0.02  -0.10
     4   6     0.01  -0.02  -0.04     0.02   0.01   0.00     0.00   0.00   0.04
     5   6    -0.00   0.01   0.03    -0.00   0.02  -0.00     0.00   0.00  -0.01
     6   6     0.01  -0.02  -0.10    -0.01   0.04  -0.00     0.01  -0.01  -0.09
     7   6     0.01  -0.00  -0.00     0.10   0.03  -0.05     0.00   0.00   0.00
     8   6    -0.01  -0.01   0.00    -0.08  -0.02   0.12    -0.02   0.00  -0.01
     9   8    -0.01  -0.00  -0.01    -0.00  -0.03  -0.04    -0.00  -0.00  -0.01
    10   6     0.00   0.03   0.02     0.03  -0.03   0.01     0.00   0.01   0.03
    11   1     0.02  -0.05  -0.41    -0.06  -0.01   0.02     0.02  -0.04  -0.27
    12   1    -0.03   0.04   0.30     0.03  -0.00  -0.00     0.03  -0.07  -0.50
    13   1     0.01  -0.10  -0.53    -0.03  -0.00  -0.00    -0.03   0.08   0.53
    14   1    -0.04   0.08   0.61    -0.06   0.03  -0.03    -0.04   0.07   0.54
    15   1    -0.04   0.02   0.01     0.08  -0.32  -0.09     0.09   0.00  -0.02
    16   6     0.00   0.01   0.01     0.04   0.09  -0.04     0.00  -0.00  -0.00
    17   1    -0.01   0.01   0.01    -0.02   0.02  -0.08    -0.05  -0.02   0.08
    18   1    -0.00  -0.03   0.00    -0.28  -0.12   0.11     0.07   0.00  -0.01
    19   1     0.05   0.11  -0.07     0.07  -0.05   0.05     0.04   0.08  -0.06
    20   1    -0.01  -0.09  -0.02    -0.00   0.01   0.01     0.01  -0.10  -0.00
    21   1    -0.03   0.04   0.02    -0.03  -0.38  -0.05     0.01  -0.03  -0.01
    22   1    -0.00  -0.04  -0.03    -0.04  -0.24   0.11     0.00   0.00   0.01
    23   1    -0.03   0.03   0.01    -0.22   0.48   0.44    -0.00   0.01   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    961.0338               964.6707               980.2272
 Red. masses --      1.8165                 1.3013                 2.3635
 Frc consts  --      0.9884                 0.7135                 1.3380
 IR Inten    --      4.6868                 0.7389                28.7010
 RamAct Fr= 1--      0.7606                 0.2391                 1.4828
  Dep-P Fr= 1--      0.2818                 0.1982                 0.5007
  Dep-U Fr= 1--      0.4397                 0.3309                 0.6673
 Alpha2 Fr= 1--      0.0082                 0.0033                 0.0073
 Beta2  Fr= 1--      0.0557                 0.0132                 0.1649
 AlphaG Fr= 1--     -0.0110                 0.0089                -0.0116
 Gamma2 Fr= 1--     -0.3648                 0.0794                -0.0315
 Delta2 Fr= 1--     -0.2424                -0.1456                 0.1391
 Raman1 Fr= 1--       3.042                  0.956                  5.931
 ROA1   Fr= 1--     -42.781                  2.965                  1.426
 CID1   Fr= 1--     -14.062                  3.100                  0.241
 Raman2 Fr= 1--       0.669                  0.158                  1.979
 ROA2   Fr= 1--      -6.816                  3.071                 -1.869
 CID2   Fr= 1--     -10.191                 19.411                 -0.945
 Raman3 Fr= 1--       1.338                  0.316                  3.958
 ROA3   Fr= 1--     -42.781                  2.965                  1.426
 CID3   Fr= 1--     -31.981                  9.370                  0.360
 RC180  Fr= 1--      -0.121                 -0.338                  0.335
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.04     0.01  -0.02  -0.09     0.02   0.01   0.01
     2   6     0.01   0.01   0.04    -0.01   0.01   0.07    -0.06   0.01  -0.01
     3   6    -0.01  -0.02   0.02    -0.00   0.02   0.06     0.01  -0.03   0.00
     4   6     0.01   0.00  -0.00    -0.00   0.00   0.01    -0.02   0.00  -0.02
     5   6    -0.01  -0.00   0.02     0.00  -0.00  -0.01     0.03   0.01   0.04
     6   6     0.01  -0.02  -0.03    -0.00   0.00  -0.03    -0.00  -0.02  -0.02
     7   6    -0.01  -0.06  -0.01     0.00   0.02   0.01    -0.05  -0.02   0.04
     8   6     0.15  -0.08  -0.01    -0.05   0.03   0.00     0.04   0.20   0.07
     9   8     0.02   0.03   0.05    -0.01  -0.01  -0.02    -0.08  -0.07  -0.09
    10   6    -0.10   0.06  -0.05     0.04  -0.02   0.01     0.15  -0.07  -0.00
    11   1    -0.06   0.07   0.22    -0.02   0.07   0.61     0.05  -0.03  -0.05
    12   1     0.04  -0.00  -0.26     0.02  -0.08  -0.49    -0.07  -0.01   0.01
    13   1    -0.01  -0.05  -0.12     0.03  -0.05  -0.44     0.02  -0.03   0.05
    14   1    -0.00   0.02   0.20    -0.03   0.04   0.27     0.03   0.01   0.08
    15   1    -0.06  -0.35  -0.04     0.01   0.11   0.02    -0.18  -0.24   0.03
    16   6    -0.08   0.07   0.00     0.02  -0.02   0.00    -0.07  -0.03  -0.02
    17   1     0.28   0.02  -0.36    -0.08   0.00   0.10     0.16   0.49  -0.17
    18   1    -0.22  -0.10  -0.00     0.06   0.03   0.00    -0.21   0.12   0.05
    19   1    -0.14   0.03  -0.03     0.03  -0.03   0.02     0.28  -0.17   0.22
    20   1    -0.10   0.09  -0.04     0.04  -0.00   0.02     0.09   0.16   0.05
    21   1     0.16  -0.17  -0.06    -0.05   0.07   0.02     0.15  -0.14  -0.07
    22   1    -0.05   0.37   0.28     0.01  -0.11  -0.09    -0.03   0.29   0.18
    23   1     0.14  -0.01   0.11    -0.03  -0.01  -0.04     0.17  -0.18  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1024.7519              1050.2594              1068.6883
 Red. masses --      1.9089                 2.7252                 2.4108
 Frc consts  --      1.1811                 1.7711                 1.6222
 IR Inten    --      5.1264                 2.1061                 5.7955
 RamAct Fr= 1--      3.4592                 7.0586                41.5493
  Dep-P Fr= 1--      0.3419                 0.2227                 0.0434
  Dep-U Fr= 1--      0.5095                 0.3643                 0.0831
 Alpha2 Fr= 1--      0.0312                 0.0902                 0.8338
 Beta2  Fr= 1--      0.2938                 0.4285                 0.5756
 AlphaG Fr= 1--     -0.0244                -0.0006                 0.1932
 Gamma2 Fr= 1--     -0.3762                 1.6028                -1.7147
 Delta2 Fr= 1--     -0.1114                -0.1809                -1.9041
 Raman1 Fr= 1--      13.837                 28.234                166.197
 ROA1   Fr= 1--     -39.680                148.080               -225.538
 CID1   Fr= 1--      -2.868                  5.245                 -1.357
 Raman2 Fr= 1--       3.525                  5.142                  6.907
 ROA2   Fr= 1--      -8.137                 39.914                -25.919
 CID2   Fr= 1--      -2.308                  7.762                 -3.753
 Raman3 Fr= 1--       7.050                 10.285                 13.813
 ROA3   Fr= 1--     -39.680                148.080               -225.538
 CID3   Fr= 1--      -5.628                 14.398                -16.328
 RC180  Fr= 1--       0.019                 -0.271                 -0.834
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.01    -0.07  -0.11   0.02     0.09   0.16  -0.02
     2   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.00     0.17  -0.11   0.03
     3   6    -0.00   0.01   0.02     0.00   0.08  -0.01    -0.11   0.11  -0.03
     4   6     0.05  -0.03  -0.01     0.10  -0.06  -0.02    -0.02  -0.05   0.00
     5   6     0.01  -0.00  -0.12     0.01  -0.02   0.10    -0.04  -0.00   0.01
     6   6    -0.02   0.05   0.04    -0.04   0.17  -0.05    -0.06  -0.08   0.00
     7   6     0.03  -0.10   0.01     0.05  -0.16  -0.05     0.00  -0.08  -0.01
     8   6    -0.03   0.02  -0.05    -0.08   0.01  -0.03    -0.01   0.05  -0.01
     9   8    -0.02   0.01  -0.05     0.01   0.04   0.04     0.02  -0.01  -0.00
    10   6     0.01   0.02   0.17     0.05  -0.05  -0.12     0.01   0.00  -0.02
    11   1    -0.02  -0.02   0.05     0.06  -0.24  -0.01    -0.03   0.30  -0.05
    12   1    -0.00  -0.03  -0.01    -0.05  -0.12   0.05     0.10  -0.39   0.07
    13   1    -0.02  -0.01  -0.10     0.06   0.09   0.02    -0.52   0.02  -0.01
    14   1    -0.03   0.01  -0.19     0.01   0.20   0.06    -0.49  -0.20   0.01
    15   1     0.23  -0.22  -0.04     0.26  -0.09  -0.08     0.03  -0.10  -0.02
    16   6    -0.07   0.05   0.03    -0.06   0.07   0.08     0.01   0.03   0.03
    17   1    -0.08   0.16   0.18    -0.17  -0.10   0.19    -0.01   0.04   0.03
    18   1     0.18  -0.01  -0.05     0.18   0.18  -0.02     0.05   0.10  -0.01
    19   1     0.15   0.38  -0.30    -0.15  -0.35   0.23     0.05  -0.04   0.05
    20   1     0.08  -0.51   0.00     0.02   0.38   0.02     0.04   0.08   0.01
    21   1     0.09  -0.01  -0.01    -0.01   0.24   0.08    -0.06   0.09   0.05
    22   1    -0.04   0.29   0.19    -0.03   0.24   0.06     0.01   0.01  -0.03
    23   1     0.10  -0.04   0.03     0.05  -0.06  -0.06    -0.04   0.06   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1116.9134              1126.3546              1145.6700
 Red. masses --      2.2845                 3.3563                 1.9580
 Frc consts  --      1.6791                 2.5088                 1.5142
 IR Inten    --     14.1859                48.6144                 3.7843
 RamAct Fr= 1--      3.8963                 2.5126                 0.5044
  Dep-P Fr= 1--      0.3728                 0.7460                 0.6848
  Dep-U Fr= 1--      0.5431                 0.8546                 0.8129
 Alpha2 Fr= 1--      0.0317                 0.0002                 0.0006
 Beta2  Fr= 1--      0.3527                 0.3579                 0.0683
 AlphaG Fr= 1--      0.0747                 0.0038                -0.0036
 Gamma2 Fr= 1--     -0.4059                -0.3690                 0.2887
 Delta2 Fr= 1--      1.0967                -0.4385                 0.1062
 Raman1 Fr= 1--      15.585                 10.051                  2.017
 ROA1   Fr= 1--      -3.867                -49.455                 31.113
 CID1   Fr= 1--      -0.248                 -4.921                 15.422
 Raman2 Fr= 1--       4.232                  4.294                  0.820
 ROA2   Fr= 1--     -18.515                 -5.348                  6.079
 CID2   Fr= 1--      -4.375                 -1.245                  7.413
 Raman3 Fr= 1--       8.465                  8.589                  1.640
 ROA3   Fr= 1--      -3.867                -49.455                 31.113
 CID3   Fr= 1--      -0.457                 -5.758                 18.971
 RC180  Fr= 1--       0.086                  0.709                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.00  -0.00     0.05   0.02   0.00     0.03  -0.05   0.01
     2   6     0.05  -0.01   0.00    -0.03  -0.02  -0.00    -0.00  -0.05   0.01
     3   6    -0.00   0.01   0.01    -0.04   0.01   0.01    -0.06   0.11  -0.02
     4   6     0.09  -0.03  -0.06    -0.07   0.01  -0.06    -0.02  -0.08   0.02
     5   6    -0.04  -0.03   0.03     0.06   0.02   0.04    -0.01  -0.09  -0.00
     6   6    -0.03  -0.00  -0.00    -0.00   0.00  -0.00     0.04   0.11  -0.01
     7   6     0.05   0.15   0.13    -0.02   0.04   0.17    -0.08   0.03   0.06
     8   6    -0.08   0.04   0.01     0.04  -0.14  -0.17     0.05   0.06  -0.02
     9   8     0.07  -0.07   0.02    -0.14   0.15   0.04     0.03  -0.06   0.00
    10   6    -0.06   0.03  -0.05     0.17  -0.08   0.03    -0.05   0.09  -0.01
    11   1    -0.16   0.12  -0.04     0.13  -0.05  -0.00     0.34  -0.35   0.08
    12   1     0.07   0.06   0.01    -0.09  -0.23   0.04    -0.11  -0.42   0.04
    13   1    -0.06  -0.02  -0.05    -0.13  -0.02  -0.04    -0.21   0.07  -0.03
    14   1    -0.13  -0.03  -0.01    -0.03   0.00  -0.01     0.45   0.22  -0.00
    15   1     0.38   0.19   0.07     0.18  -0.10   0.11    -0.21  -0.02   0.08
    16   6    -0.08  -0.07  -0.11     0.01   0.01  -0.11     0.03  -0.00  -0.05
    17   1    -0.16  -0.18   0.17    -0.05   0.07   0.18     0.05  -0.00  -0.04
    18   1     0.09  -0.02   0.01     0.25  -0.25  -0.16     0.04  -0.02  -0.03
    19   1     0.03  -0.01   0.04    -0.25  -0.21   0.02     0.09   0.16  -0.05
    20   1     0.01   0.08  -0.02     0.09   0.10   0.06    -0.02  -0.03  -0.04
    21   1     0.30  -0.36  -0.20     0.09  -0.42  -0.14    -0.03  -0.17  -0.04
    22   1    -0.04   0.30   0.27    -0.02  -0.07   0.18     0.00  -0.14  -0.00
    23   1     0.23  -0.20   0.02     0.01   0.17   0.24    -0.06   0.11   0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1165.4666              1189.0545              1224.9047
 Red. masses --      2.2785                 1.1196                 2.2813
 Frc consts  --      1.8234                 0.9327                 2.0167
 IR Inten    --     26.9554                 0.1001                 9.4151
 RamAct Fr= 1--      1.1963                 5.7165                 0.8145
  Dep-P Fr= 1--      0.6415                 0.6466                 0.7456
  Dep-U Fr= 1--      0.7816                 0.7854                 0.8542
 Alpha2 Fr= 1--      0.0023                 0.0106                 0.0001
 Beta2  Fr= 1--      0.1558                 0.7483                 0.1160
 AlphaG Fr= 1--      0.0169                -0.0025                 0.0010
 Gamma2 Fr= 1--      0.0055                -0.1239                -0.7117
 Delta2 Fr= 1--     -0.7092                -0.3575                -0.2706
 Raman1 Fr= 1--       4.785                 22.866                  3.258
 ROA1   Fr= 1--     -22.170                -23.336                -76.980
 CID1   Fr= 1--      -4.633                 -1.021                -23.628
 Raman2 Fr= 1--       1.870                  8.980                  1.392
 ROA2   Fr= 1--       5.806                 -0.114                -14.916
 CID2   Fr= 1--       3.105                 -0.013                -10.719
 Raman3 Fr= 1--       3.740                 17.959                  2.783
 ROA3   Fr= 1--     -22.170                -23.336                -76.980
 CID3   Fr= 1--      -5.928                 -1.299                -27.659
 RC180  Fr= 1--       0.563                  0.571                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.04  -0.04   0.01     0.08   0.02   0.00
     2   6     0.01  -0.04   0.01     0.02   0.05  -0.01    -0.07  -0.01  -0.00
     3   6    -0.06   0.02  -0.01    -0.04  -0.01  -0.00    -0.07  -0.07   0.01
     4   6     0.08  -0.02   0.04     0.02  -0.01   0.00    -0.14   0.08  -0.06
     5   6     0.04  -0.03  -0.01     0.01   0.00   0.00     0.10   0.14  -0.02
     6   6    -0.01   0.06  -0.01    -0.04   0.00  -0.00     0.08  -0.02   0.01
     7   6     0.05   0.13  -0.12    -0.01   0.01   0.00     0.08  -0.03   0.00
     8   6     0.02  -0.13   0.10     0.00   0.00  -0.00    -0.04   0.01   0.05
     9   8    -0.09   0.06  -0.03    -0.00  -0.00   0.00     0.05  -0.03  -0.00
    10   6     0.08  -0.00   0.05     0.00   0.00   0.00    -0.08  -0.04  -0.02
    11   1     0.03  -0.04   0.01     0.44  -0.43   0.09     0.30  -0.20   0.04
    12   1    -0.09  -0.36   0.04     0.16   0.55  -0.07    -0.16  -0.28   0.03
    13   1    -0.39  -0.06   0.02    -0.36  -0.09  -0.00    -0.27  -0.12  -0.02
    14   1     0.04   0.08  -0.01    -0.35  -0.08  -0.01     0.26   0.02   0.00
    15   1    -0.03   0.39  -0.07    -0.04   0.01   0.01     0.57  -0.01  -0.08
    16   6    -0.05  -0.06   0.02     0.00  -0.01  -0.00    -0.03  -0.00   0.02
    17   1     0.11  -0.03  -0.18     0.00  -0.00  -0.00    -0.03  -0.09  -0.01
    18   1    -0.34  -0.13   0.11    -0.00  -0.01  -0.00    -0.01   0.22   0.06
    19   1     0.06   0.04  -0.02    -0.00   0.01  -0.01    -0.10  -0.07   0.01
    20   1    -0.04  -0.06   0.00    -0.01  -0.00  -0.00    -0.23  -0.07  -0.04
    21   1     0.11   0.16  -0.01     0.00   0.00  -0.00     0.06   0.06   0.00
    22   1     0.01   0.25  -0.04     0.01   0.01  -0.01    -0.00   0.09   0.01
    23   1     0.12  -0.25  -0.19    -0.01  -0.00  -0.00     0.06  -0.07  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1233.6758              1254.4559              1298.1978
 Red. masses --      2.3420                 1.1995                 1.4337
 Frc consts  --      2.1001                 1.1121                 1.4236
 IR Inten    --      5.6245                 6.1526                 2.3372
 RamAct Fr= 1--     34.2359                 5.4789                 1.1623
  Dep-P Fr= 1--      0.0798                 0.2377                 0.7473
  Dep-U Fr= 1--      0.1478                 0.3841                 0.8554
 Alpha2 Fr= 1--      0.6296                 0.0672                 0.0001
 Beta2  Fr= 1--      0.8435                 0.3508                 0.1657
 AlphaG Fr= 1--      0.0144                 0.0021                 0.0019
 Gamma2 Fr= 1--      1.5284                 3.1952                -1.1136
 Delta2 Fr= 1--      0.6135                 1.6840                 0.4192
 Raman1 Fr= 1--     136.943                 21.915                  4.649
 ROA1   Fr= 1--     166.357                360.631                -93.489
 CID1   Fr= 1--       1.215                 16.456                -20.108
 Raman2 Fr= 1--      10.123                  4.209                  1.988
 ROA2   Fr= 1--      31.774                 63.214                -30.079
 CID2   Fr= 1--       3.139                 15.018                -15.127
 Raman3 Fr= 1--      20.245                  8.419                  3.977
 ROA3   Fr= 1--     166.357                360.631                -93.489
 CID3   Fr= 1--       8.217                 42.838                -23.508
 RC180  Fr= 1--      -0.704                 -0.232                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.00     0.02  -0.00   0.00     0.00  -0.04   0.01
     2   6    -0.06   0.00  -0.00     0.01   0.00   0.00     0.02  -0.01   0.00
     3   6    -0.00  -0.08   0.01    -0.02  -0.00  -0.00     0.00  -0.03   0.00
     4   6     0.17   0.04   0.03    -0.04   0.03   0.00     0.07   0.10  -0.01
     5   6     0.20   0.10   0.00    -0.03  -0.01   0.03    -0.09   0.02  -0.02
     6   6    -0.02   0.06  -0.01     0.00  -0.02  -0.00    -0.01  -0.04   0.01
     7   6    -0.07   0.01   0.02     0.06   0.02  -0.04     0.02   0.02   0.01
     8   6    -0.00   0.06  -0.04    -0.04   0.00  -0.01    -0.03   0.01  -0.05
     9   8     0.03  -0.05   0.01     0.04  -0.02  -0.01     0.00   0.03   0.03
    10   6    -0.08  -0.04   0.01    -0.02   0.02   0.01     0.01  -0.03  -0.02
    11   1    -0.20   0.14  -0.03     0.05  -0.04   0.01    -0.12   0.08  -0.02
    12   1    -0.16  -0.31   0.03     0.01   0.00   0.01     0.06   0.09  -0.01
    13   1    -0.32  -0.16   0.01    -0.04  -0.00   0.01    -0.50  -0.16  -0.00
    14   1    -0.38  -0.02  -0.02     0.15   0.02   0.01     0.52   0.09   0.03
    15   1    -0.48  -0.06   0.08    -0.10  -0.03  -0.02    -0.20  -0.40  -0.01
    16   6     0.03  -0.00  -0.02    -0.02  -0.01   0.02     0.01  -0.02   0.02
    17   1    -0.04   0.01   0.05    -0.01   0.41   0.11    -0.09  -0.04   0.10
    18   1     0.07  -0.10  -0.05     0.02  -0.44  -0.04     0.09  -0.06  -0.05
    19   1    -0.35  -0.08  -0.09    -0.46  -0.05  -0.12     0.32  -0.01   0.10
    20   1    -0.02  -0.09   0.01     0.56   0.06   0.11    -0.10   0.03  -0.01
    21   1    -0.05  -0.04  -0.00     0.04   0.05   0.01    -0.02   0.10   0.03
    22   1     0.01  -0.07  -0.01     0.00   0.07  -0.02     0.03   0.04  -0.05
    23   1    -0.06   0.06   0.02     0.03  -0.06  -0.04    -0.03  -0.02  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1314.9143              1323.3312              1336.2522
 Red. masses --      1.7385                 1.3335                 2.4560
 Frc consts  --      1.7710                 1.3759                 2.5838
 IR Inten    --      3.4165                 1.6848                 0.5976
 RamAct Fr= 1--      8.3036                 8.4418                 4.4487
  Dep-P Fr= 1--      0.3051                 0.5977                 0.2204
  Dep-U Fr= 1--      0.4676                 0.7482                 0.3612
 Alpha2 Fr= 1--      0.0839                 0.0238                 0.0572
 Beta2  Fr= 1--      0.6471                 1.0527                 0.2678
 AlphaG Fr= 1--     -0.0188                 0.0107                 0.0688
 Gamma2 Fr= 1--     -0.7633                 2.2805                -0.4287
 Delta2 Fr= 1--     -0.1952                -1.1297                -0.8050
 Raman1 Fr= 1--      33.214                 33.767                 17.795
 ROA1   Fr= 1--     -79.518                182.783                -66.911
 CID1   Fr= 1--      -2.394                  5.413                 -3.760
 Raman2 Fr= 1--       7.765                 12.633                  3.213
 ROA2   Fr= 1--     -16.757                 63.770                 -3.848
 CID2   Fr= 1--      -2.158                  5.048                 -1.198
 Raman3 Fr= 1--      15.531                 25.265                  6.427
 ROA3   Fr= 1--     -79.518                182.783                -66.911
 CID3   Fr= 1--      -5.120                  7.235                -10.411
 RC180  Fr= 1--      -0.065                  0.496                 -0.278
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.03  -0.01    -0.01   0.01  -0.00     0.09  -0.10   0.02
     2   6    -0.02  -0.08   0.01    -0.01  -0.02   0.00     0.05   0.10  -0.01
     3   6     0.08  -0.00   0.01     0.02  -0.01  -0.00    -0.11  -0.02  -0.01
     4   6     0.04  -0.05   0.01    -0.01  -0.00   0.02     0.04   0.16  -0.02
     5   6    -0.09   0.12  -0.00    -0.02   0.04  -0.02     0.03  -0.12   0.03
     6   6     0.07   0.01   0.00     0.02  -0.00   0.00    -0.14  -0.05  -0.00
     7   6    -0.05  -0.05   0.02     0.05  -0.11  -0.01    -0.00  -0.10   0.03
     8   6     0.05  -0.00   0.03    -0.04  -0.02  -0.00     0.01  -0.02   0.03
     9   8    -0.03   0.02  -0.06     0.03   0.01   0.04    -0.01  -0.02  -0.05
    10   6    -0.03  -0.04   0.03    -0.01  -0.02  -0.02     0.03   0.05   0.02
    11   1    -0.01  -0.02  -0.00     0.01  -0.01   0.01    -0.17   0.16  -0.03
    12   1     0.05   0.16  -0.01     0.02   0.05  -0.01     0.01  -0.03   0.01
    13   1    -0.33  -0.11  -0.00    -0.10  -0.03   0.01    -0.04  -0.01  -0.00
    14   1     0.17   0.03   0.01     0.07   0.01   0.01     0.29   0.06   0.02
    15   1     0.08   0.25   0.04    -0.30   0.67   0.15    -0.03   0.39   0.10
    16   6     0.01   0.01  -0.03    -0.02   0.03  -0.05     0.01   0.03  -0.04
    17   1     0.05  -0.32  -0.12     0.01   0.43   0.07     0.04  -0.10  -0.08
    18   1    -0.05   0.33   0.04     0.04  -0.10  -0.01     0.03   0.60   0.07
    19   1    -0.16  -0.01  -0.07     0.21  -0.02   0.08    -0.29   0.03  -0.11
    20   1     0.62   0.10   0.15    -0.26  -0.01  -0.05     0.18  -0.01   0.02
    21   1    -0.03  -0.06  -0.02     0.04  -0.12  -0.07    -0.02  -0.08  -0.03
    22   1    -0.01  -0.01   0.07    -0.03   0.06   0.14    -0.02  -0.03   0.10
    23   1    -0.03   0.08   0.07     0.03   0.09   0.14     0.00   0.10   0.11
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1364.5949              1386.1675              1411.6753
 Red. masses --      1.4565                 1.3889                 1.3030
 Frc consts  --      1.5979                 1.5723                 1.5299
 IR Inten    --      8.8509                 5.2948                 5.0977
 RamAct Fr= 1--      5.9981                 2.4753                 1.2318
  Dep-P Fr= 1--      0.2796                 0.4556                 0.2274
  Dep-U Fr= 1--      0.4370                 0.6260                 0.3706
 Alpha2 Fr= 1--      0.0653                 0.0148                 0.0155
 Beta2  Fr= 1--      0.4369                 0.2582                 0.0761
 AlphaG Fr= 1--      0.0367                -0.0460                 0.0277
 Gamma2 Fr= 1--      1.0156                 0.8869                -0.1167
 Delta2 Fr= 1--      0.7449                 0.8896                -0.0056
 Raman1 Fr= 1--      23.992                  9.901                  4.927
 ROA1   Fr= 1--     121.337                113.605                -11.384
 CID1   Fr= 1--       5.057                 11.474                 -2.311
 Raman2 Fr= 1--       5.242                  3.099                  0.913
 ROA2   Fr= 1--      18.416                 14.168                 -2.757
 CID2   Fr= 1--       3.513                  4.572                 -3.020
 Raman3 Fr= 1--      10.484                  6.198                  1.826
 ROA3   Fr= 1--     121.337                113.605                -11.384
 CID3   Fr= 1--      11.573                 18.331                 -6.235
 RC180  Fr= 1--      -0.126                  0.252                 -0.259
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.00     0.03  -0.02   0.01    -0.01   0.00  -0.00
     2   6     0.00  -0.01   0.00     0.01   0.05  -0.01     0.00   0.03  -0.00
     3   6     0.02   0.00   0.00    -0.06  -0.02  -0.00    -0.02  -0.01   0.00
     4   6     0.06   0.01  -0.02     0.02   0.03  -0.01     0.00  -0.00  -0.00
     5   6    -0.01  -0.00   0.00     0.05  -0.01   0.01     0.02  -0.01   0.01
     6   6    -0.02   0.00  -0.00    -0.03  -0.02   0.00     0.01  -0.00   0.00
     7   6    -0.17  -0.01  -0.01    -0.02  -0.06  -0.02    -0.01   0.04   0.01
     8   6     0.03  -0.01   0.02     0.03   0.07  -0.00    -0.02  -0.06  -0.01
     9   8     0.02  -0.01   0.02    -0.02   0.04   0.01     0.01   0.02  -0.00
    10   6     0.01   0.01  -0.01    -0.08  -0.05  -0.01    -0.07  -0.03  -0.01
    11   1    -0.12   0.09  -0.03     0.02  -0.01   0.00     0.06  -0.07   0.01
    12   1     0.03   0.08  -0.01    -0.03  -0.10   0.01    -0.04  -0.13   0.02
    13   1    -0.17  -0.05  -0.02     0.11   0.03   0.00     0.14   0.03  -0.00
    14   1     0.08   0.03  -0.00    -0.00  -0.01   0.00    -0.12  -0.04  -0.00
    15   1     0.68   0.12  -0.15     0.15   0.22  -0.01    -0.02  -0.10  -0.00
    16   6     0.05  -0.01   0.00    -0.00   0.03   0.01     0.03  -0.09  -0.05
    17   1     0.11   0.49   0.00    -0.04  -0.31   0.02     0.04   0.26  -0.04
    18   1    -0.10  -0.20   0.01    -0.13  -0.52  -0.04     0.11   0.25   0.00
    19   1    -0.04  -0.03   0.02     0.52   0.10   0.08     0.34   0.10   0.01
    20   1    -0.12  -0.03  -0.03     0.38   0.12   0.10     0.28   0.13   0.08
    21   1    -0.17   0.01   0.05    -0.00  -0.12  -0.01    -0.17   0.41   0.04
    22   1     0.04  -0.03  -0.01    -0.02  -0.10  -0.02     0.06   0.33   0.23
    23   1    -0.15   0.09  -0.05     0.04  -0.03  -0.06    -0.20   0.22   0.28
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1421.9702              1484.8278              1490.8747
 Red. masses --      1.2896                 1.5869                 1.1700
 Frc consts  --      1.5363                 2.0614                 1.5322
 IR Inten    --     12.7282                 9.5658                 0.6228
 RamAct Fr= 1--      2.2313                 2.2266                12.1301
  Dep-P Fr= 1--      0.3575                 0.3638                 0.6863
  Dep-U Fr= 1--      0.5267                 0.5335                 0.8140
 Alpha2 Fr= 1--      0.0191                 0.0187                 0.0136
 Beta2  Fr= 1--      0.1959                 0.1980                 1.6457
 AlphaG Fr= 1--      0.0341                -0.0292                -0.0297
 Gamma2 Fr= 1--     -0.6028                -1.4249                -1.6702
 Delta2 Fr= 1--     -0.0750                 2.2876                -2.1322
 Raman1 Fr= 1--       8.925                  8.907                 48.520
 ROA1   Fr= 1--     -60.265                -63.583               -228.572
 CID1   Fr= 1--      -6.752                 -7.139                 -4.711
 Raman2 Fr= 1--       2.351                  2.376                 19.748
 ROA2   Fr= 1--     -13.866                -52.498                -23.027
 CID2   Fr= 1--      -5.899                -22.096                 -1.166
 Raman3 Fr= 1--       4.701                  4.752                 39.496
 ROA3   Fr= 1--     -60.265                -63.583               -228.572
 CID3   Fr= 1--     -12.819                -13.381                 -5.787
 RC180  Fr= 1--       0.053                  0.067                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.10  -0.05   0.01    -0.04   0.03  -0.01
     2   6     0.00   0.01  -0.00    -0.06  -0.08   0.01     0.03   0.03  -0.00
     3   6    -0.01  -0.01   0.00     0.00   0.06  -0.01    -0.01  -0.03   0.00
     4   6     0.02  -0.00   0.00    -0.07  -0.06   0.00     0.03   0.01   0.00
     5   6     0.01  -0.00   0.00     0.09   0.00   0.01    -0.04   0.02  -0.00
     6   6     0.01   0.00   0.00    -0.05   0.05  -0.01     0.00  -0.03   0.00
     7   6    -0.02   0.04   0.01     0.01   0.02   0.00     0.00  -0.00  -0.00
     8   6    -0.03  -0.09  -0.01     0.00  -0.00   0.00     0.03   0.01  -0.02
     9   8     0.02   0.01  -0.00     0.00  -0.01   0.00     0.01  -0.02   0.00
    10   6    -0.06  -0.03  -0.01    -0.03  -0.05   0.01     0.03  -0.06   0.02
    11   1     0.04  -0.05   0.01    -0.26   0.32  -0.06     0.12  -0.13   0.03
    12   1    -0.02  -0.08   0.01     0.08   0.40  -0.05    -0.01  -0.14   0.02
    13   1     0.01  -0.00   0.00    -0.09   0.05  -0.01     0.09  -0.00   0.01
    14   1    -0.07  -0.02  -0.00     0.12   0.10  -0.01     0.03  -0.02   0.00
    15   1    -0.01  -0.11  -0.01    -0.00  -0.01   0.00    -0.01   0.00  -0.00
    16   6    -0.02   0.07   0.05    -0.02  -0.02   0.01     0.01   0.01  -0.01
    17   1     0.04   0.41   0.01     0.01   0.03   0.01    -0.09  -0.01   0.31
    18   1     0.09   0.40   0.02    -0.02   0.01   0.00    -0.32   0.04   0.00
    19   1     0.26   0.08  -0.00     0.08   0.23  -0.34    -0.10   0.26  -0.50
    20   1     0.21   0.12   0.06    -0.08   0.38   0.12    -0.25   0.50   0.13
    21   1     0.15  -0.37  -0.03     0.33   0.10  -0.06    -0.17  -0.04   0.03
    22   1    -0.05  -0.32  -0.26     0.02   0.05  -0.27    -0.01  -0.00   0.14
    23   1     0.16  -0.20  -0.27    -0.03   0.08   0.19     0.00  -0.04  -0.09
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1497.0047              1505.6821              1507.0240
 Red. masses --      1.1296                 1.1965                 1.0544
 Frc consts  --      1.4915                 1.5983                 1.4109
 IR Inten    --      0.2991                 5.3570                 9.9638
 RamAct Fr= 1--      1.4837                 5.3331                 5.5878
  Dep-P Fr= 1--      0.6307                 0.5591                 0.5963
  Dep-U Fr= 1--      0.7735                 0.7172                 0.7471
 Alpha2 Fr= 1--      0.0032                 0.0193                 0.0159
 Beta2  Fr= 1--      0.1913                 0.6375                 0.6958
 AlphaG Fr= 1--     -0.0040                -0.0254                -0.0245
 Gamma2 Fr= 1--     -0.6561                 4.7623                -0.0514
 Delta2 Fr= 1--     -0.7413                 0.7530                -0.5062
 Raman1 Fr= 1--       5.935                 21.332                 22.351
 ROA1   Fr= 1--     -86.711                481.281                -21.132
 CID1   Fr= 1--     -14.610                 22.561                 -0.945
 Raman2 Fr= 1--       2.295                  7.650                  8.350
 ROA2   Fr= 1--      -9.817                108.272                  2.816
 CID2   Fr= 1--      -4.277                 14.154                  0.337
 Raman3 Fr= 1--       4.591                 15.300                 16.699
 ROA3   Fr= 1--     -86.711                481.281                -21.132
 CID3   Fr= 1--     -18.888                 31.457                 -1.265
 RC180  Fr= 1--       0.547                  0.434                  0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00     0.05  -0.01   0.00     0.00   0.01  -0.00
     2   6     0.02   0.04  -0.00    -0.03  -0.04   0.00     0.00  -0.01   0.00
     3   6     0.01  -0.02   0.00    -0.02   0.02  -0.00    -0.01  -0.00  -0.00
     4   6     0.02   0.02  -0.00    -0.03  -0.03   0.00     0.02  -0.01   0.00
     5   6    -0.03  -0.00  -0.00     0.04   0.00   0.00     0.00   0.01  -0.00
     6   6     0.02  -0.02   0.00    -0.01   0.02  -0.00    -0.01  -0.00  -0.00
     7   6    -0.03  -0.02   0.01     0.03   0.02  -0.00    -0.03   0.01  -0.01
     8   6     0.04   0.00  -0.03     0.05  -0.02  -0.04     0.01  -0.01  -0.01
     9   8     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
    10   6     0.00   0.02  -0.01    -0.03   0.02  -0.01    -0.00   0.00  -0.00
    11   1     0.06  -0.09   0.02    -0.08   0.12  -0.02     0.01  -0.00   0.00
    12   1    -0.03  -0.14   0.02     0.03   0.17  -0.02     0.01   0.02  -0.00
    13   1     0.02  -0.02   0.00     0.00   0.03  -0.01    -0.00   0.00   0.01
    14   1    -0.06  -0.04   0.00     0.04   0.04  -0.00     0.03   0.01   0.00
    15   1     0.03   0.04   0.01    -0.07  -0.04   0.01     0.04  -0.04  -0.04
    16   6    -0.03  -0.02   0.02     0.02   0.00  -0.00    -0.03   0.01  -0.04
    17   1    -0.08   0.02   0.33    -0.13   0.04   0.52    -0.02   0.06   0.12
    18   1    -0.34   0.07  -0.01    -0.51   0.18  -0.00    -0.14   0.01  -0.00
    19   1    -0.02  -0.07   0.10     0.05  -0.11   0.23     0.00  -0.03   0.05
    20   1     0.04  -0.11  -0.04     0.13  -0.22  -0.06     0.02  -0.05  -0.02
    21   1     0.52   0.09  -0.10    -0.28  -0.12   0.05     0.06   0.42  -0.01
    22   1     0.05   0.11  -0.49     0.01   0.09   0.22    -0.12  -0.49   0.21
    23   1    -0.15   0.19   0.27    -0.07  -0.05  -0.21     0.54  -0.14   0.38
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1531.2302              1623.3778              1651.4779
 Red. masses --      2.3410                 6.3282                 5.7243
 Frc consts  --      3.2340                 9.8259                 9.1985
 IR Inten    --     17.3230                 1.5700                 1.8715
 RamAct Fr= 1--      0.6794                14.9306                29.9157
  Dep-P Fr= 1--      0.7414                 0.4822                 0.7350
  Dep-U Fr= 1--      0.8515                 0.6506                 0.8472
 Alpha2 Fr= 1--      0.0001                 0.0799                 0.0077
 Beta2  Fr= 1--      0.0964                 1.6190                 4.2243
 AlphaG Fr= 1--     -0.0002                -0.0013                 0.0027
 Gamma2 Fr= 1--     -2.1321                -0.4722                 0.7286
 Delta2 Fr= 1--      0.4229                 0.5934                -2.0095
 Raman1 Fr= 1--       2.718                 59.722                119.663
 ROA1   Fr= 1--    -191.149                -26.344                  5.647
 CID1   Fr= 1--     -70.338                 -0.441                  0.047
 Raman2 Fr= 1--       1.157                 19.428                 50.691
 ROA2   Fr= 1--     -54.553                -16.081                 33.563
 CID2   Fr= 1--     -47.152                 -0.828                  0.662
 Raman3 Fr= 1--       2.314                 38.856                101.383
 ROA3   Fr= 1--    -191.149                -26.344                  5.647
 CID3   Fr= 1--     -82.607                 -0.678                  0.056
 RC180  Fr= 1--       0.703                  0.301                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.10  -0.01     0.16  -0.29   0.05     0.22  -0.04   0.02
     2   6     0.06  -0.07   0.01     0.02   0.35  -0.05    -0.17  -0.12   0.01
     3   6    -0.15  -0.05  -0.00    -0.02   0.15  -0.02    -0.33  -0.06  -0.01
     4   6     0.12  -0.10   0.02     0.00  -0.30   0.05     0.20   0.08   0.00
     5   6     0.04   0.15  -0.02    -0.13   0.28  -0.05    -0.24  -0.01  -0.02
     6   6    -0.15  -0.04  -0.00     0.02  -0.16   0.02     0.33   0.10   0.01
     7   6    -0.03   0.03  -0.00     0.01   0.04  -0.01    -0.03  -0.01  -0.00
     8   6    -0.01  -0.01   0.00     0.00  -0.01   0.00    -0.01  -0.00  -0.00
     9   8    -0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.02   0.00     0.02  -0.03   0.00     0.04   0.00   0.00
    11   1     0.26  -0.13   0.04    -0.36   0.21  -0.06    -0.08   0.27  -0.04
    12   1     0.15   0.19  -0.02    -0.21  -0.40   0.04    -0.09   0.24  -0.04
    13   1     0.56   0.13   0.01    -0.13   0.13  -0.03     0.42   0.13   0.01
    14   1     0.52   0.14   0.02     0.02  -0.17   0.02    -0.45  -0.10  -0.02
    15   1    -0.05   0.00   0.01    -0.07  -0.02   0.00    -0.00   0.02   0.00
    16   6    -0.00  -0.01   0.01    -0.01   0.00  -0.00     0.00   0.00   0.00
    17   1     0.03   0.04  -0.09     0.02   0.05  -0.02     0.00   0.02  -0.03
    18   1     0.09   0.01   0.00     0.01   0.00   0.01     0.03   0.01   0.00
    19   1    -0.10  -0.12   0.10    -0.15  -0.12   0.05    -0.07  -0.01  -0.04
    20   1    -0.04  -0.14  -0.04    -0.08  -0.09  -0.03    -0.04   0.04   0.01
    21   1     0.09  -0.03  -0.02    -0.01  -0.01  -0.00     0.03  -0.00  -0.00
    22   1     0.02   0.08  -0.11    -0.01   0.00   0.03     0.00  -0.02  -0.05
    23   1    -0.09   0.05   0.01     0.03  -0.04  -0.03    -0.01   0.02   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   2943.1833              2955.3258              3002.0960
 Red. masses --      1.0729                 1.0712                 1.0818
 Frc consts  --      5.4755                 5.5125                 5.7445
 IR Inten    --     46.0850                57.4248                20.8847
 RamAct Fr= 1--    146.3302               160.4276               110.6530
  Dep-P Fr= 1--      0.2085                 0.1038                 0.2357
  Dep-U Fr= 1--      0.3450                 0.1880                 0.3815
 Alpha2 Fr= 1--      1.9430                 2.7829                 1.3645
 Beta2  Fr= 1--      8.4137                 5.0279                 7.0357
 AlphaG Fr= 1--     -2.5724                 0.2205                -0.4044
 Gamma2 Fr= 1--    -16.2240                14.6204                -0.1529
 Delta2 Fr= 1--     -5.7767                 8.2484                -1.7942
 Raman1 Fr= 1--     585.321                641.711                442.612
 ROA1   Fr= 1--   -1742.358               1667.510                -72.091
 CID1   Fr= 1--      -2.977                  2.599                 -0.163
 Raman2 Fr= 1--     100.964                 60.335                 84.428
 ROA2   Fr= 1--    -343.163                284.902                 10.684
 CID2   Fr= 1--      -3.399                  4.722                  0.127
 Raman3 Fr= 1--     201.929                120.671                168.856
 ROA3   Fr= 1--   -1742.358               1667.510                -72.091
 CID3   Fr= 1--      -8.629                 13.819                 -0.427
 RC180  Fr= 1--      -0.310                 -0.624                 -0.237
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.01   0.01  -0.08
     8   6    -0.00  -0.00   0.01     0.01   0.01  -0.07     0.01  -0.00  -0.01
     9   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.01   0.03  -0.07     0.00   0.00  -0.01    -0.00   0.00  -0.00
    11   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.01    -0.03   0.02  -0.16     0.17  -0.12   0.95
    16   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
    17   1     0.03  -0.00   0.01    -0.14   0.03  -0.06    -0.10   0.02  -0.03
    18   1    -0.01   0.02  -0.16     0.02  -0.05   0.96     0.00  -0.01   0.14
    19   1     0.04  -0.08  -0.08     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    20   1    -0.13  -0.27   0.93    -0.01  -0.05   0.15    -0.00  -0.00   0.01
    21   1     0.00  -0.00   0.00    -0.00   0.00  -0.02    -0.03   0.01  -0.11
    22   1    -0.00  -0.00   0.00     0.02  -0.00   0.00    -0.01  -0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.01  -0.01   0.01     0.01   0.01  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3033.7530              3077.7035              3085.3437
 Red. masses --      1.0372                 1.0880                 1.0944
 Frc consts  --      5.6244                 6.0722                 6.1383
 IR Inten    --     30.6994                23.2431                 8.1161
 RamAct Fr= 1--    174.0397               108.3415                74.3249
  Dep-P Fr= 1--      0.0365                 0.3551                 0.1435
  Dep-U Fr= 1--      0.0704                 0.5241                 0.2510
 Alpha2 Fr= 1--      3.5498                 0.9353                 1.1680
 Beta2  Fr= 1--      2.0424                 9.4645                 3.1096
 AlphaG Fr= 1--      0.3612                 1.6489                -0.0025
 Gamma2 Fr= 1--     -0.8072                 4.7248               -21.5215
 Delta2 Fr= 1--     -1.2381                 2.3748               -15.7175
 Raman1 Fr= 1--     696.159                433.366                297.300
 ROA1   Fr= 1--    -117.113                529.575              -2569.020
 CID1   Fr= 1--      -0.168                  1.222                 -8.641
 Raman2 Fr= 1--      24.508                113.573                 37.315
 ROA2   Fr= 1--      -9.469                 94.397               -390.775
 CID2   Fr= 1--      -0.386                  0.831                -10.472
 Raman3 Fr= 1--      49.016                227.147                 74.629
 ROA3   Fr= 1--    -117.113                529.575              -2569.020
 CID3   Fr= 1--      -2.389                  2.331                -34.424
 RC180  Fr= 1--      -0.859                  0.048                 -0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.07   0.01  -0.03
     9   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00   0.00     0.02  -0.06  -0.05     0.00  -0.01  -0.01
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1    -0.00   0.02  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.00   0.00     0.00  -0.03   0.00     0.00  -0.01   0.00
    15   1    -0.01   0.01  -0.05    -0.00   0.00  -0.01     0.00  -0.01   0.02
    16   6    -0.03   0.03   0.03    -0.00  -0.00  -0.00     0.04  -0.00   0.03
    17   1    -0.01   0.00  -0.00    -0.11   0.02  -0.03     0.80  -0.12   0.26
    18   1     0.00   0.00  -0.04     0.00   0.00  -0.02    -0.01  -0.01   0.12
    19   1     0.00  -0.00  -0.00    -0.27   0.79   0.53    -0.03   0.09   0.06
    20   1     0.00   0.00  -0.00    -0.01  -0.04   0.09    -0.00  -0.00   0.00
    21   1    -0.14   0.05  -0.60     0.00  -0.00   0.02    -0.07   0.03  -0.35
    22   1     0.65  -0.10   0.07     0.02  -0.00   0.00    -0.34   0.05  -0.03
    23   1    -0.20  -0.31   0.16     0.00   0.00  -0.00    -0.02  -0.05   0.03
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3091.4980              3111.5536              3154.1730
 Red. masses --      1.0994                 1.0993                 1.0874
 Frc consts  --      6.1906                 6.2706                 6.3741
 IR Inten    --     62.9792                20.7694                10.4515
 RamAct Fr= 1--    181.0967                40.4977                79.6999
  Dep-P Fr= 1--      0.4782                 0.6034                 0.3943
  Dep-U Fr= 1--      0.6470                 0.7527                 0.5656
 Alpha2 Fr= 1--      0.9865                 0.1097                 0.6023
 Beta2  Fr= 1--     19.5295                 5.0802                 7.5136
 AlphaG Fr= 1--     -0.0913                -0.4229                -0.0757
 Gamma2 Fr= 1--     28.1389                -3.9116                -2.2306
 Delta2 Fr= 1--     17.6579                 0.1515                 0.6222
 Raman1 Fr= 1--     724.387                161.991                318.800
 ROA1   Fr= 1--    3266.382               -370.666               -194.226
 CID1   Fr= 1--       4.509                 -2.288                 -0.609
 Raman2 Fr= 1--     234.354                 60.962                 90.163
 ROA2   Fr= 1--     534.070                -95.090                -58.512
 CID2   Fr= 1--       2.279                 -1.560                 -0.649
 Raman3 Fr= 1--     468.708                121.924                180.326
 ROA3   Fr= 1--    3266.382               -370.666               -194.226
 CID3   Fr= 1--       6.969                 -3.040                 -1.077
 RC180  Fr= 1--       0.294                  0.505                  0.131
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.02   0.01  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.02  -0.08   0.01
     7   6    -0.00   0.00  -0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     8   6    -0.04   0.01  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
     9   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.08  -0.08   0.01
    12   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.30  -0.09   0.03
    13   1     0.00  -0.01   0.00     0.02  -0.08   0.01    -0.01   0.05  -0.01
    14   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.23   0.90  -0.14
    15   1     0.02  -0.01   0.11    -0.01   0.01  -0.06     0.00  -0.00   0.00
    16   6    -0.07   0.00  -0.04    -0.04  -0.06   0.06    -0.00  -0.00   0.00
    17   1     0.46  -0.07   0.15    -0.03   0.00  -0.01     0.00  -0.00   0.00
    18   1    -0.01  -0.01   0.09     0.00   0.00  -0.02    -0.00   0.00  -0.00
    19   1    -0.01   0.03   0.02     0.00  -0.00  -0.00    -0.01   0.02   0.01
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1     0.11  -0.04   0.55    -0.10   0.01  -0.37    -0.00   0.00  -0.00
    22   1     0.62  -0.11   0.05     0.16  -0.04   0.03     0.00  -0.00   0.00
    23   1     0.06   0.12  -0.07     0.44   0.71  -0.34     0.00   0.01  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3171.3889              3184.4470              3194.9557
 Red. masses --      1.0866                 1.0911                 1.0965
 Frc consts  --      6.4390                 6.5189                 6.5946
 IR Inten    --      2.2160                23.2652                18.5988
 RamAct Fr= 1--     85.2843                66.3761               260.7289
  Dep-P Fr= 1--      0.6862                 0.6448                 0.1043
  Dep-U Fr= 1--      0.8139                 0.7841                 0.1888
 Alpha2 Fr= 1--      0.0957                 0.1258                 4.5176
 Beta2  Fr= 1--     11.5684                 8.6737                 8.2051
 AlphaG Fr= 1--     -0.0259                -0.0409                 0.4491
 Gamma2 Fr= 1--      0.0548                -2.5084                 6.3159
 Delta2 Fr= 1--     -1.8364                -3.7772                 3.4701
 Raman1 Fr= 1--     341.137                265.504               1042.916
 ROA1   Fr= 1--     -53.504               -361.680                717.368
 CID1   Fr= 1--      -0.157                 -1.362                  0.688
 Raman2 Fr= 1--     138.821                104.085                 98.461
 ROA2   Fr= 1--      16.007                -29.985                123.820
 CID2   Fr= 1--       0.115                 -0.288                  1.258
 Raman3 Fr= 1--     277.642                208.169                196.922
 ROA3   Fr= 1--     -53.504               -361.680                717.368
 CID3   Fr= 1--      -0.193                 -1.737                  3.643
 RC180  Fr= 1--       0.628                  0.568                 -0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.04   0.00    -0.00   0.00  -0.00    -0.04  -0.04   0.00
     2   6     0.03  -0.01   0.00     0.06  -0.01   0.01    -0.05   0.01  -0.01
     3   6    -0.01   0.04  -0.01     0.01  -0.06   0.01     0.01  -0.04   0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.00     0.00  -0.02   0.00    -0.00   0.01  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    11   1     0.53   0.53  -0.04     0.03   0.02  -0.00     0.46   0.45  -0.04
    12   1    -0.36   0.10  -0.04    -0.66   0.18  -0.07     0.51  -0.14   0.05
    13   1     0.11  -0.46   0.07    -0.16   0.67  -0.11    -0.13   0.50  -0.08
    14   1    -0.06   0.23  -0.04    -0.04   0.19  -0.03     0.03  -0.13   0.02
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00   0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    22   1    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    23   1    -0.02  -0.04   0.02     0.03   0.04  -0.02     0.02   0.03  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Molecular mass:   148.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   996.891241706.956472592.86493
           X            0.99875  -0.04963  -0.00662
           Y            0.04959   0.99875  -0.00625
           Z            0.00693   0.00591   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.08688     0.05074     0.03340
 Rotational constants (GHZ):           1.81037     1.05729     0.69604
 Zero-point vibrational energy     518372.1 (Joules/Mol)
                                  123.89391 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    100.88   178.03   289.14   333.10   404.71
          (Kelvin)            456.64   552.24   577.09   625.93   652.18
                              721.48   770.40   851.29   950.30  1044.12
                             1079.58  1110.27  1206.95  1263.91  1309.32
                             1356.02  1382.71  1387.95  1410.33  1474.39
                             1511.09  1537.60  1606.99  1620.57  1648.36
                             1676.85  1710.78  1762.36  1774.98  1804.88
                             1867.82  1891.87  1903.98  1922.57  1963.35
                             1994.39  2031.09  2045.90  2136.34  2145.04
                             2153.86  2166.34  2168.27  2203.10  2335.68
                             2376.11  4234.58  4252.05  4319.35  4364.89
                             4428.13  4439.12  4447.98  4476.83  4538.15
                             4562.92  4581.71  4596.83
 
 Zero-point correction=                           0.197438 (Hartree/Particle)
 Thermal correction to Energy=                    0.206535
 Thermal correction to Enthalpy=                  0.207479
 Thermal correction to Gibbs Free Energy=         0.163309
 Sum of electronic and zero-point Energies=           -463.528572
 Sum of electronic and thermal Energies=              -463.519474
 Sum of electronic and thermal Enthalpies=            -463.518530
 Sum of electronic and thermal Free Energies=         -463.562700
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  129.603             36.702             92.964
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.888
 Rotational               0.889              2.981             29.868
 Vibrational            127.825             30.741             22.207
 Vibration     1          0.598              1.968              4.150
 Vibration     2          0.610              1.929              3.041
 Vibration     3          0.638              1.839              2.124
 Vibration     4          0.653              1.793              1.867
 Vibration     5          0.681              1.708              1.526
 Vibration     6          0.704              1.640              1.324
 Vibration     7          0.753              1.505              1.024
 Vibration     8          0.767              1.468              0.959
 Vibration     9          0.796              1.394              0.842
 Vibration    10          0.812              1.354              0.786
 Vibration    11          0.857              1.247              0.654
 Vibration    12          0.890              1.172              0.575
 Vibration    13          0.949              1.050              0.464
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.764065D-75        -75.116869       -172.962984
 Total V=0       0.498886D+16         15.698001         36.145984
 Vib (Bot)       0.143457D-88        -88.843277       -204.569206
 Vib (Bot)    1  0.294147D+01          0.468564          1.078909
 Vib (Bot)    2  0.165007D+01          0.217502          0.500817
 Vib (Bot)    3  0.991825D+00         -0.003565         -0.008209
 Vib (Bot)    4  0.850166D+00         -0.070496         -0.162323
 Vib (Bot)    5  0.683037D+00         -0.165556         -0.381206
 Vib (Bot)    6  0.593222D+00         -0.226783         -0.522187
 Vib (Bot)    7  0.469794D+00         -0.328093         -0.755462
 Vib (Bot)    8  0.444011D+00         -0.352607         -0.811907
 Vib (Bot)    9  0.398928D+00         -0.399106         -0.918975
 Vib (Bot)   10  0.377304D+00         -0.423309         -0.974705
 Vib (Bot)   11  0.327326D+00         -0.485019         -1.116797
 Vib (Bot)   12  0.297159D+00         -0.527011         -1.213488
 Vib (Bot)   13  0.254524D+00         -0.594271         -1.368359
 Vib (V=0)       0.936685D+02          1.971593          4.539761
 Vib (V=0)    1  0.348366D+01          0.542036          1.248084
 Vib (V=0)    2  0.222416D+01          0.347166          0.799380
 Vib (V=0)    3  0.161073D+01          0.207022          0.476686
 Vib (V=0)    4  0.148630D+01          0.172106          0.396288
 Vib (V=0)    5  0.134649D+01          0.129202          0.297499
 Vib (V=0)    6  0.127583D+01          0.105793          0.243597
 Vib (V=0)    7  0.118608D+01          0.074114          0.170654
 Vib (V=0)    8  0.116869D+01          0.067699          0.155883
 Vib (V=0)    9  0.113964D+01          0.056769          0.130715
 Vib (V=0)   10  0.112638D+01          0.051687          0.119013
 Vib (V=0)   11  0.109761D+01          0.040450          0.093139
 Vib (V=0)   12  0.108164D+01          0.034082          0.078477
 Vib (V=0)   13  0.106105D+01          0.025738          0.059264
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.708333D+08          7.850237         18.075839
 Rotational      0.751918D+06          5.876171         13.530383
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333 33 22                                                111111111111111111111111111                                         
   11111000 00 99                                                66555444443333322221111100099999 88  777 6  5 5 54443  32 2 2  1    
   98751987 30 54                                                52300998218632195328642165286641 73  752 6  9 3 05308  18 3 0  2 7  
   54142158 42 53                                                13176715226563584459566790505120 89  206 0  2 5 13514  71 2 1  4 0  
 
   XXXXXXXX XX XX                                                XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XX  XXX X  X X XXXXX  XX X X  X X  
   XX XXXXX XX XX                                                  XXX  XXXXX    XXX X XXX XX   X     XX  X       X     X            
   XX XXXXX XX XX                                                  XX   XX  X      X X XX   X         XX  X             X            
   XX  XX X XX XX                                                  X     X           X XX   X         XX                             
   XX  XX X XX XX                                                  X                 X XX   X         XX                             
   XX  XX X XX XX                                                  X                 X X    X         XX                             
    X  XX X XX XX                                                                    X X    X         XX                             
        X   X  XX                                                                    X X    X         XX                             
        X   X  XX                                                                    X X    X         XX                             
        X   X  XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      X                                                                                                                     
        X      X                                                                                                                     
        X      X                                                                                                                     
        X                                                                                                                            
        X                                                                                                                            
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004218    0.000004745    0.000001186
      2        6          -0.000007317   -0.000004185    0.000007188
      3        6           0.000006418    0.000005191   -0.000000002
      4        6          -0.000003848   -0.000018129   -0.000008891
      5        6          -0.000014837    0.000006187    0.000007287
      6        6           0.000005951   -0.000000329    0.000000316
      7        6           0.000013141   -0.000007310   -0.000006620
      8        6           0.000003784    0.000003142   -0.000004274
      9        8          -0.000001841    0.000006961    0.000002894
     10        6           0.000001161   -0.000003390   -0.000004001
     11        1           0.000000120   -0.000000713    0.000000954
     12        1           0.000000159    0.000001738   -0.000000653
     13        1           0.000005766    0.000006870   -0.000003767
     14        1           0.000001115    0.000000981    0.000000294
     15        1           0.000000325    0.000002779   -0.000001671
     16        6           0.000001535   -0.000002629    0.000003609
     17        1           0.000000673   -0.000000673    0.000000325
     18        1          -0.000005606    0.000000359    0.000006161
     19        1           0.000002518   -0.000001241    0.000000665
     20        1           0.000000710    0.000002136   -0.000000428
     21        1          -0.000000854   -0.000002980    0.000000750
     22        1           0.000000353    0.000000064   -0.000000684
     23        1          -0.000005207    0.000000426   -0.000000639
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018129 RMS     0.000004906
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149969D+03 -0.257358D+01  0.815447D+00
      2  -0.257358D+01  0.133492D+03 -0.457888D+01
      3   0.815447D+00 -0.457888D+01  0.848289D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.454775D+01  0.208965D+00 -0.122571D+02
      2   0.559065D+01 -0.121279D+02 -0.583979D+00
      3   0.791579D+01 -0.472653D+02  0.931254D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.133817D+03  0.644811D+01 -0.618630D+01
      2  -0.724843D+02  0.200936D+02 -0.135038D+02
      3  -0.613323D+02 -0.265417D+02  0.196901D+02
      4   0.566832D+02  0.638268D+02 -0.180376D+02
      5   0.162743D+02 -0.185813D+02 -0.747376D+01
      6  -0.483445D+01  0.122516D+02  0.202496D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.150887D+01  0.199364D+01 -0.678503D+00  0.545032D+01 -0.599813D+00
      2   0.199364D+01  0.237116D+01 -0.226331D+00 -0.599813D+00  0.261222D+01
      3  -0.678503D+00 -0.226331D+00  0.216254D+01  0.935114D+00  0.429490D+00
                 6             7             8             9            10 
      1   0.935114D+00 -0.129825D+01  0.578912D+00  0.407226D+01  0.583252D+01
      2   0.429490D+00  0.578912D+00  0.728221D+00  0.335222D+01 -0.116383D+01
      3   0.240835D+01  0.407226D+01  0.335222D+01 -0.877625D+00 -0.238580D+00
                11            12            13            14            15 
      1  -0.116383D+01 -0.238580D+00 -0.204281D+01 -0.195919D+01  0.937693D+00
      2   0.282206D+01  0.618918D-01 -0.195919D+01 -0.271063D+01  0.272569D-01
      3   0.618918D-01  0.291424D+01  0.937693D+00  0.272569D-01 -0.998883D+00
                16            17            18            19            20 
      1   0.208794D-02  0.101858D+01  0.539793D+01  0.829254D+00 -0.499615D+01
      2   0.101858D+01  0.325887D+00 -0.128715D+01 -0.499615D+01 -0.117798D+01
      3   0.539793D+01 -0.128715D+01  0.117928D+01  0.655088D+00 -0.241043D+00
                21            22            23            24            25 
      1   0.655088D+00  0.482968D+01 -0.121903D+01  0.105968D+00 -0.121932D+00
      2  -0.241043D+00 -0.121903D+01  0.270751D+01  0.539315D+00 -0.281649D+00
      3  -0.103215D+01  0.105968D+00  0.539315D+00  0.195979D+01 -0.130235D+00
                26            27            28            29            30 
      1  -0.281649D+00 -0.130235D+00 -0.130296D+02  0.466637D+01 -0.143009D+01
      2   0.424369D+00  0.369157D+01  0.466637D+01 -0.476246D+01  0.707546D+00
      3   0.369157D+01 -0.174481D+01 -0.143009D+01  0.707546D+00 -0.170740D+01
                31            32            33            34            35 
      1   0.822941D+01  0.259755D+01 -0.306670D+00 -0.109703D+01 -0.680966D+00
      2   0.259755D+01  0.182671D+01  0.286907D+00 -0.680966D+00  0.870934D-01
      3  -0.306670D+00  0.286907D+00 -0.100576D-01 -0.294053D+01  0.135596D+01
                36            37            38            39            40 
      1  -0.294053D+01 -0.291794D+00 -0.400582D+01  0.495217D+00 -0.127570D+02
      2   0.135596D+01 -0.400582D+01 -0.698484D+01  0.105843D+01 -0.307861D+01
      3  -0.135229D+01  0.495217D+00  0.105843D+01 -0.156021D+01  0.204477D+00
                41            42            43            44            45 
      1  -0.307861D+01  0.204477D+00  0.197024D+01 -0.525541D-01 -0.194940D+01
      2  -0.608292D+01  0.219873D-01 -0.525541D-01 -0.475564D+00 -0.298869D+01
      3   0.219873D-01 -0.735912D+00 -0.194940D+01 -0.298869D+01  0.706259D+00
                46            47            48            49            50 
      1  -0.319246D+01  0.366136D+01 -0.563933D+00 -0.463638D+01  0.846074D+00
      2   0.366136D+01  0.334402D+01 -0.693837D-01  0.846074D+00 -0.104627D+01
      3  -0.563933D+00 -0.693837D-01 -0.126217D+00  0.402335D-01 -0.602645D+00
                51            52            53            54            55 
      1   0.402335D-01 -0.432556D-02  0.752604D+00  0.166593D+01  0.242434D+01
      2  -0.602645D+00  0.752604D+00 -0.311048D+00 -0.368101D+01 -0.529805D+00
      3  -0.239688D+01  0.166593D+01 -0.368101D+01  0.135640D+01  0.707569D+00
                56            57            58            59            60 
      1  -0.529805D+00  0.707569D+00 -0.895607D+00  0.420794D+01 -0.404852D+00
      2   0.318850D+01 -0.245816D+00  0.420794D+01 -0.187599D+01 -0.190962D+01
      3  -0.245816D+00  0.177958D+01 -0.404852D+00 -0.190962D+01 -0.943216D+00
                61            62            63            64            65 
      1   0.263370D+01 -0.540811D+00  0.300721D+01  0.686364D+01 -0.182633D+01
      2  -0.540811D+00 -0.214980D+01 -0.129100D+01 -0.182633D+01 -0.234446D+01
      3   0.300721D+01 -0.129100D+01  0.773106D+01  0.180913D+01 -0.325803D-01
                66            67            68            69            70 
      1   0.180913D+01 -0.417357D+01 -0.166686D+01  0.615961D+00  0.203942D+01
      2  -0.325803D-01 -0.166686D+01  0.138855D+01  0.132766D+01  0.814593D-01
      3  -0.190352D+00  0.615961D+00  0.132766D+01 -0.628061D+00  0.183759D+01
                71            72            73            74            75 
      1   0.814593D-01  0.183759D+01 -0.554191D+01 -0.133841D+01 -0.153597D+01
      2   0.166342D+01  0.489733D+00 -0.133841D+01  0.617287D+00 -0.108471D+01
      3   0.489733D+00 -0.767801D+01 -0.153597D+01 -0.108471D+01  0.177729D+00
                76            77            78            79            80 
      1   0.585226D+00 -0.121933D+01 -0.627922D+00 -0.184716D+01  0.215468D+00
      2  -0.121933D+01 -0.520442D+01 -0.138666D+01  0.215468D+00 -0.135105D+01
      3  -0.627922D+00 -0.138666D+01  0.192160D+00 -0.171248D+01 -0.201996D+01
                81            82            83            84            85 
      1  -0.171248D+01  0.304411D+01  0.470207D+00  0.259962D+00  0.108877D+01
      2  -0.201996D+01  0.470207D+00 -0.124649D+01 -0.584742D+00  0.249804D+01
      3  -0.699567D-01  0.259962D+00 -0.584742D+00 -0.109476D+00 -0.126533D+01
                86            87            88            89            90 
      1   0.249804D+01 -0.126533D+01 -0.841378D+00 -0.279217D+01  0.213324D+01
      2   0.798655D+01  0.344717D+00 -0.279217D+01 -0.102174D+01  0.570954D+01
      3   0.344717D+00  0.216147D+01  0.213324D+01  0.570954D+01 -0.514571D+01
                91            92            93            94            95 
      1   0.685560D+01  0.433220D+01 -0.325425D+00  0.434842D+01  0.436947D+01
      2   0.433220D+01  0.331553D+01 -0.184705D+00  0.436947D+01  0.510911D+01
      3  -0.325425D+00 -0.184705D+00  0.593028D+00 -0.512876D+00 -0.496249D+00
                96            97            98            99           100 
      1  -0.512876D+00 -0.160338D+00 -0.351881D+00 -0.880376D-01  0.126717D+02
      2  -0.496249D+00 -0.351881D+00 -0.549583D+00 -0.263629D-01 -0.243810D+01
      3   0.609728D+00 -0.880376D-01 -0.263629D-01 -0.309201D-01  0.101011D+01
               101           102           103           104           105 
      1  -0.243810D+01  0.101011D+01 -0.248572D+01  0.207612D+01 -0.442369D+00
      2   0.117856D+01 -0.182471D+00  0.207612D+01 -0.104711D+01  0.232230D+00
      3  -0.182471D+00  0.871577D+00 -0.442369D+00  0.232230D+00 -0.270652D+00
               106           107           108           109           110 
      1   0.116645D+01 -0.514127D+00 -0.537400D-01 -0.791318D+00  0.140546D+01
      2  -0.514127D+00  0.153911D+00 -0.172829D-01  0.140546D+01 -0.908597D+00
      3  -0.537400D-01 -0.172829D-01  0.680619D-01 -0.786541D-01  0.146475D+00
               111           112           113           114           115 
      1  -0.786541D-01  0.124046D+01 -0.106332D+01  0.895534D-01 -0.221028D+00
      2   0.146475D+00 -0.106332D+01  0.873542D+01 -0.136470D+01  0.241292D+00
      3  -0.509877D-01  0.895534D-01 -0.136470D+01  0.933194D+00  0.176656D-01
               116           117           118           119           120 
      1   0.241292D+00  0.176656D-01  0.139319D+01 -0.191607D+01  0.286375D+00
      2  -0.147967D+01  0.245004D+00 -0.191607D+01  0.215147D+01 -0.342557D+00
      3   0.245004D+00 -0.221305D+00  0.286375D+00 -0.342557D+00  0.353200D+00
               121           122           123           124           125 
      1  -0.187243D+01  0.288882D+01 -0.410513D+00  0.435315D+00 -0.492811D+00
      2   0.288882D+01 -0.967964D+01  0.126376D+01 -0.492811D+00  0.136854D+01
      3  -0.410513D+00  0.126376D+01 -0.929681D+00  0.136455D+00 -0.265448D+00
               126           127           128           129           130 
      1   0.136455D+00 -0.205917D+01  0.286193D+00 -0.177547D+01  0.744853D+00
      2  -0.265448D+00  0.286193D+00 -0.682883D+00  0.314597D+00 -0.165201D+01
      3   0.201633D+00 -0.177547D+01  0.314597D+00 -0.164843D+01  0.429508D+00
               131           132           133           134           135 
      1  -0.165201D+01  0.429508D+00 -0.471838D+01  0.130136D+01 -0.314865D+01
      2   0.138411D+01 -0.934683D+00  0.130136D+01 -0.154250D+01  0.138410D+01
      3  -0.934683D+00  0.813217D+00 -0.314865D+01  0.138410D+01 -0.838645D+01
               136           137           138           139           140 
      1   0.775536D+01 -0.311178D+01  0.103349D+01 -0.440912D+00 -0.357817D+01
      2  -0.311178D+01 -0.247385D+01  0.227805D-02 -0.357817D+01  0.777421D+00
      3   0.103349D+01  0.227805D-02 -0.177695D+01  0.455456D-01  0.292780D+01
               141           142           143           144           145 
      1   0.455456D-01  0.158727D+01 -0.828229D+00 -0.146854D+01 -0.118627D+02
      2   0.292780D+01 -0.828229D+00  0.380895D+01 -0.149191D+00  0.566030D+00
      3   0.314975D+00 -0.146854D+01 -0.149191D+00 -0.558252D+01 -0.141659D+01
               146           147           148           149           150 
      1   0.566030D+00 -0.141659D+01  0.166980D+01 -0.129714D+01  0.106858D+00
      2  -0.103875D+01  0.225423D-01 -0.129714D+01  0.414381D+00 -0.406872D+00
      3   0.225423D-01 -0.112279D+01  0.106858D+00 -0.406872D+00  0.594919D-02
               151           152           153           154           155 
      1  -0.291058D+01  0.144755D+00 -0.170311D+01 -0.118195D+01  0.715143D-01
      2   0.144755D+00 -0.736720D+00  0.279006D-01  0.715143D-01  0.371680D+00
      3  -0.170311D+01  0.279006D-01 -0.350758D+00  0.970093D+00  0.248300D-01
               156           157           158           159           160 
      1   0.970093D+00  0.176237D+00 -0.226715D+00 -0.569887D-01  0.217183D+01
      2   0.248300D-01 -0.226715D+00 -0.220452D+00  0.101085D+01 -0.352271D-03
      3   0.204629D+00 -0.569887D-01  0.101085D+01 -0.316385D+00 -0.266852D+01
               161           162           163           164           165 
      1  -0.352271D-03 -0.266852D+01  0.782990D+00 -0.729162D+00 -0.619011D+00
      2   0.159509D+01 -0.238123D+00 -0.729162D+00  0.229898D+01  0.546644D+00
      3  -0.238123D+00  0.774974D+01 -0.619011D+00  0.546644D+00  0.253368D+00
               166           167           168           169           170 
      1  -0.146921D+01 -0.544974D+00  0.182639D+00 -0.936671D+00  0.178250D+00
      2  -0.544974D+00 -0.933209D+01 -0.227301D+01  0.178250D+00 -0.380153D+01
      3   0.182639D+00 -0.227301D+01 -0.163533D+01 -0.188219D+00 -0.269194D+01
               171           172           173           174           175 
      1  -0.188219D+00 -0.143845D+01 -0.986747D+00  0.132787D+01 -0.669177D+00
      2  -0.269194D+01 -0.986747D+00 -0.296208D+00  0.536602D+00 -0.122706D+01
      3  -0.135736D+01  0.132787D+01  0.536602D+00 -0.952729D+00  0.588638D+00
               176           177           178           179           180 
      1  -0.122706D+01  0.588638D+00  0.299486D+01  0.199260D+01 -0.155803D+01
      2  -0.417874D+01  0.212963D+01  0.199260D+01  0.476902D+01 -0.472195D+01
      3   0.212963D+01 -0.166249D+01 -0.155803D+01 -0.472195D+01  0.690165D+01
               181           182           183           184           185 
      1  -0.181078D+00  0.288400D+00  0.705569D+00 -0.317104D+00  0.409084D+00
      2   0.288400D+00  0.711087D+00  0.237780D+00  0.409084D+00  0.138545D+00
      3   0.705569D+00  0.237780D+00  0.124462D+01  0.735556D-01  0.443519D+00
               186           187           188           189           190 
      1   0.735556D-01  0.134065D+01 -0.421513D+00 -0.132192D+00 -0.109687D+02
      2   0.443519D+00 -0.421513D+00  0.172880D+01  0.143377D+01  0.418817D+01
      3  -0.200480D+00 -0.132192D+00  0.143377D+01  0.722528D+01 -0.164930D-01
               191           192           193           194           195 
      1   0.418817D+01 -0.164930D-01  0.190345D+01 -0.153968D+01  0.162077D-01
      2  -0.294310D+01 -0.215851D+00 -0.153968D+01  0.140230D+01 -0.287398D+00
      3  -0.215851D+00 -0.107713D+01  0.162077D-01 -0.287398D+00  0.165283D+00
               196           197           198           199           200 
      1  -0.111084D+01  0.389755D+00 -0.998669D+00  0.577631D+00  0.111265D+01
      2   0.389755D+00 -0.805988D+00  0.507287D+00  0.111265D+01  0.248928D+01
      3  -0.998669D+00  0.507287D+00  0.166930D+00 -0.581745D+00 -0.249432D+00
               201           202           203           204           205 
      1  -0.581745D+00  0.149333D+01  0.978808D+00 -0.344430D+00 -0.107392D+01
      2  -0.249432D+00  0.978808D+00  0.689542D+01 -0.132328D+01  0.620270D-01
      3   0.800310D+00 -0.344430D+00 -0.132328D+01  0.116390D+01  0.472061D+00
               206           207 
      1   0.620270D-01  0.472061D+00
      2  -0.242810D+01  0.118102D+01
      3   0.118102D+01 -0.488589D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.934057D+00 -0.123242D+00 -0.437547D+01 -0.160143D+01  0.118695D+00
      2  -0.109368D+01 -0.171407D+01  0.474632D+01  0.143450D+01  0.242940D+01
      3  -0.516933D+01 -0.135992D+02  0.122574D+01  0.714952D+01 -0.107250D+01
                 6             7             8             9            10 
      1  -0.711857D+00 -0.821493D+01  0.522659D+01 -0.109766D+01 -0.378104D-01
      2   0.762867D+01  0.690761D+00  0.118596D+02 -0.305279D+01  0.806931D+00
      3  -0.124513D+01 -0.224007D+01 -0.293153D+01 -0.476076D+01  0.368129D+01
                11            12            13            14            15 
      1  -0.149245D+00  0.176903D+01  0.297834D+00  0.263560D+01  0.235206D+01
      2  -0.165402D+00  0.911736D+01  0.311295D+01 -0.137203D+01 -0.343311D+01
      3  -0.106159D+02  0.300301D+00  0.114159D+02  0.220940D+00  0.163846D+01
                16            17            18            19            20 
      1   0.400463D+01  0.111573D+02 -0.151851D+01 -0.728384D-01  0.369095D-01
      2   0.935456D+01 -0.544992D+01  0.359490D+01  0.238444D+01 -0.216695D+01
      3  -0.309367D+01  0.787447D+00  0.202742D+01  0.744844D+01 -0.479609D+01
                21            22            23            24            25 
      1   0.365525D+01  0.855496D+00  0.100689D+00 -0.355807D+01  0.244913D+01
      2  -0.234187D+01 -0.143726D+01 -0.210607D+00  0.324716D+01 -0.143831D+02
      3   0.176545D+01  0.517592D+01 -0.894812D+01 -0.507600D+00  0.350463D+01
                26            27            28            29            30 
      1   0.750085D+00  0.121484D+01 -0.346987D+00 -0.356748D+00  0.147547D+01
      2   0.437257D+01 -0.251049D+01  0.118834D+01  0.154305D+01 -0.219264D+01
      3  -0.101720D+01 -0.687989D+01 -0.327167D+01  0.125648D+02 -0.191184D+01
                31            32            33            34            35 
      1  -0.147698D+01  0.194620D+01 -0.494811D+00  0.259523D+01  0.103949D+02
      2   0.688778D+00 -0.100538D+01  0.395867D+00 -0.141899D+02  0.100129D+01
      3   0.121663D+02 -0.100227D+02  0.216379D+01  0.981741D+00  0.219617D+01
                36            37            38            39            40 
      1  -0.663659D+00  0.131461D+01  0.280934D+00 -0.115699D+01 -0.367844D+00
      2  -0.120502D+01  0.151836D+00 -0.368739D+00 -0.139496D+01 -0.318125D+01
      3  -0.251041D+01 -0.676317D+01  0.549831D+01 -0.661968D+00  0.108005D+02
                41            42            43            44            45 
      1   0.181081D+01 -0.637644D+00 -0.322227D+01  0.727386D+01 -0.592080D+00
      2   0.194376D+01 -0.104161D+01 -0.145465D+02 -0.901754D-01  0.248581D+00
      3   0.193894D+02 -0.221188D+01 -0.130052D+01 -0.325338D+00  0.401858D+01
                46            47            48            49            50 
      1  -0.134885D+01  0.190458D+00 -0.130883D+01 -0.220016D+00 -0.298346D+00
      2  -0.276005D+00 -0.585025D+00 -0.104197D+01 -0.169442D+01 -0.152092D+01
      3  -0.677773D+00 -0.137554D+02  0.133353D+01 -0.577003D+00  0.515237D+01
                51            52            53            54            55 
      1  -0.338575D+01  0.261297D+01  0.143575D+01  0.173362D+00  0.809561D+00
      2  -0.607722D+01 -0.984389D+01 -0.966071D+01  0.267591D+01  0.158730D+00
      3   0.874691D+00  0.155153D+01  0.105619D+01  0.684386D+01  0.354814D+01
                56            57            58            59            60 
      1   0.378387D+00 -0.243881D+01 -0.191166D+01  0.403979D+01 -0.227325D+00
      2  -0.502868D+00  0.325039D+00  0.395568D+00  0.447251D+01  0.703572D+00
      3  -0.890498D+00 -0.682437D+00  0.146016D+02  0.392032D+01 -0.540770D+01
                61            62            63            64            65 
      1  -0.428958D+01  0.753681D+01 -0.499999D+01 -0.419501D+00  0.305829D+00
      2  -0.854215D+01  0.115377D+01 -0.110629D+02 -0.917911D+01  0.102514D+01
      3   0.192655D+01 -0.701087D+01  0.125216D+01 -0.833655D+01 -0.984003D+01
                66            67            68            69            70 
      1  -0.328272D-01  0.129489D+01 -0.120461D+01  0.116190D+01  0.105888D+01
      2   0.688977D+00 -0.819040D+00 -0.304595D+01  0.182992D+01 -0.825736D+01
      3  -0.258719D+00 -0.931120D+01  0.612023D+01  0.456554D+01 -0.104440D+01
                71            72            73            74            75 
      1   0.195127D+01 -0.969561D-01 -0.243900D+01 -0.275692D+00  0.128165D+01
      2  -0.243726D+01  0.192149D+02  0.380259D+00  0.499327D+00  0.625624D+01
      3   0.343765D+01  0.661416D+00  0.135360D+02 -0.372689D+01  0.215195D+01
                76            77            78            79            80 
      1   0.641584D+00 -0.409629D+00 -0.628100D+01 -0.434621D+01  0.201780D+01
      2   0.657419D+00  0.274273D+01 -0.187530D+01 -0.362259D+01  0.394604D+01
      3   0.764378D+01 -0.136754D+02 -0.458505D+01  0.550444D+01 -0.646070D+01
                81            82            83            84            85 
      1  -0.184729D+01  0.100427D+01 -0.518406D+01 -0.172286D+01 -0.307151D+01
      2   0.126373D+01  0.273342D+01 -0.777365D+00 -0.204838D+01  0.734664D+00
      3  -0.208110D+00 -0.856504D+01 -0.153049D+01 -0.111409D+01  0.773784D+01
                86            87            88            89            90 
      1   0.480479D+01  0.531704D+01  0.763270D+01  0.185468D+02 -0.120361D+02
      2  -0.122383D+01  0.101937D+01 -0.406902D+01 -0.220084D+01  0.500163D+00
      3  -0.148554D+01  0.512296D+01  0.540052D-01  0.992757D+01 -0.907093D+00
                91            92            93            94            95 
      1  -0.880513D-01 -0.310424D+00 -0.234863D+01  0.317888D+00  0.192498D-01
      2   0.342874D+00  0.259942D+00  0.361980D+01 -0.689812D+00 -0.714739D+00
      3  -0.229664D+01 -0.592043D+01  0.550338D-01 -0.478630D+01 -0.101302D+02
                96            97            98            99           100 
      1  -0.272494D+01  0.121984D+01  0.133581D+01  0.155873D+00  0.198478D+00
      2   0.321182D+01 -0.171871D+01 -0.119548D+01 -0.124183D+00  0.158614D+01
      3   0.647068D+00  0.114698D+01  0.160172D+01  0.128031D+00  0.255188D+01
               101           102           103           104           105 
      1   0.384135D+00  0.116361D+01  0.402671D-01 -0.898882D-01 -0.726477D+00
      2  -0.279380D+00  0.603691D+01 -0.122112D+01  0.587276D+00 -0.166092D+01
      3  -0.590895D+01  0.181461D+00 -0.478737D+01  0.302616D+01 -0.541928D+00
               106           107           108           109           110 
      1  -0.705845D+00  0.493424D+00  0.584669D-01 -0.608481D+00  0.364516D+00
      2  -0.276567D+01  0.608016D+00  0.350206D+00 -0.808171D+00  0.793940D+00
      3   0.169326D+01 -0.949608D+00  0.110478D+00 -0.585643D+01  0.482016D+01
               111           112           113           114           115 
      1   0.632838D+00  0.556609D+00 -0.904643D+00 -0.419996D+01 -0.377172D+00
      2   0.126022D+00  0.112954D+01 -0.195198D+01  0.467464D+00 -0.129317D+01
      3  -0.688057D-01  0.823672D+01 -0.150129D+02  0.189244D+01 -0.375932D+00
               116           117           118           119           120 
      1   0.206545D+01  0.386994D+00  0.387451D-01 -0.380048D-01  0.128522D+01
      2   0.265048D+00  0.169111D+00  0.411399D+00 -0.395260D+00  0.109754D+01
      3   0.267267D+01 -0.131714D+00  0.164475D+01 -0.170134D+01  0.325198D+00
               121           122           123           124           125 
      1  -0.789208D-02 -0.291147D+00 -0.448376D+01 -0.126002D+00  0.187110D+01
      2  -0.157274D+00  0.234545D+01 -0.253579D+01 -0.114482D+01  0.301235D+00
      3   0.768480D+00  0.167868D+02 -0.213567D+01  0.493699D+00 -0.221195D+01
               126           127           128           129           130 
      1   0.462336D+00  0.203543D+01  0.899916D+00  0.127236D+01  0.937726D+00
      2   0.184895D+00  0.736889D+00 -0.792487D+00  0.298574D+01 -0.957206D+00
      3  -0.162030D+00 -0.209714D+01 -0.346197D+01 -0.135692D+01 -0.187067D+01
               131           132           133           134           135 
      1  -0.421148D+00 -0.162829D+01  0.195623D+01  0.124363D+01  0.697143D+01
      2   0.340072D+00 -0.121398D+01  0.347746D+00 -0.983239D+00  0.113584D+02
      3   0.960497D+00 -0.123124D+01 -0.331188D+01 -0.763593D+00 -0.335349D+00
               136           137           138           139           140 
      1  -0.418327D+01 -0.139503D+01  0.490230D+01  0.649399D+00 -0.113059D+02
      2  -0.541718D+01  0.253072D+01  0.500109D+01  0.197644D+01 -0.474463D+01
      3   0.146448D+02 -0.188145D+02  0.288989D+01 -0.105723D+02 -0.879588D+01
               141           142           143           144           145 
      1  -0.175900D+01  0.240619D+01  0.418430D+01  0.137952D+02 -0.156637D+00
      2  -0.459323D+00  0.526650D+00  0.111082D+01  0.114134D+02  0.482264D+01
      3   0.736128D+01  0.203145D+01  0.696635D+01 -0.447578D+01  0.469406D+01
               146           147           148           149           150 
      1   0.319983D+00 -0.733966D-02 -0.114172D+00 -0.128349D+00 -0.737714D+00
      2  -0.121346D+00  0.631805D+01 -0.455052D+00  0.112441D+01 -0.427643D+00
      3  -0.731821D+01  0.585771D+00 -0.236493D+01  0.226106D+01 -0.133897D+01
               151           152           153           154           155 
      1  -0.465194D+00  0.863137D+00 -0.156566D+00  0.197332D-01  0.489950D+00
      2   0.369316D+01 -0.746105D-01  0.136442D+01 -0.192247D+01  0.142476D+00
      3   0.651446D+00 -0.332115D+01  0.371342D+00  0.142961D+01  0.123994D+01
               156           157           158           159           160 
      1   0.329971D-01  0.291633D-01  0.166246D+00 -0.919662D+00 -0.702416D+00
      2   0.301024D+00  0.973942D+00 -0.270612D+01  0.595745D+00  0.206423D+01
      3  -0.367372D+00  0.188420D+01 -0.388708D+00  0.245935D+01 -0.948218D+00
               161           162           163           164           165 
      1   0.452295D+01  0.139026D+01 -0.127394D+01  0.174365D+01  0.107973D+01
      2   0.994979D+00 -0.195903D+02 -0.206071D+00 -0.679711D+00  0.938328D+00
      3   0.621754D+01  0.594415D+00 -0.281711D+01  0.995146D+00  0.263733D+01
               166           167           168           169           170 
      1  -0.336368D+00 -0.641361D+01 -0.652888D+01 -0.860017D+00 -0.603041D+01
      2  -0.477387D+00  0.150158D+01  0.456744D+00 -0.675331D+00  0.791869D+00
      3   0.534064D+01 -0.605627D+01 -0.274195D+01  0.390307D+01 -0.411081D+01
               171           172           173           174           175 
      1  -0.429016D+01  0.300764D+01  0.885014D+00 -0.215964D+01  0.161741D+01
      2   0.726948D+00  0.127897D+01  0.562291D+00  0.114997D+01  0.393552D+00
      3  -0.172678D+01  0.458729D+01  0.765311D+00 -0.302721D+01  0.173497D+01
               176           177           178           179           180 
      1   0.296004D+01 -0.489819D+01 -0.371639D+01 -0.796942D+01  0.166272D+02
      2  -0.605216D+00  0.860799D+00 -0.216104D+01  0.130274D+01 -0.245603D+01
      3  -0.133282D+01  0.496499D-01 -0.797642D+01 -0.212566D+01 -0.576188D+00
               181           182           183           184           185 
      1  -0.143142D+01  0.389870D+00 -0.302463D+01  0.796595D-01 -0.150866D+01
      2  -0.222688D+01 -0.354922D+00 -0.197244D+01  0.169983D+00 -0.797282D+00
      3   0.735094D+00  0.173244D+01  0.198717D+01  0.133274D+01  0.914630D+00
               186           187           188           189           190 
      1  -0.405263D+00 -0.368071D+00  0.592413D+00 -0.176591D+02  0.779131D+00
      2   0.313481D+00 -0.373112D+01 -0.226663D+01 -0.136314D+02  0.364779D+01
      3   0.750925D+00  0.300110D+01  0.268882D+01  0.362705D+01 -0.191727D+02
               191           192           193           194           195 
      1  -0.297743D+00  0.341652D+01 -0.353743D+00  0.118998D+01 -0.121371D+01
      2  -0.598479D+00  0.525991D+01 -0.968673D+00  0.100203D+01 -0.862504D+00
      3  -0.939418D-02 -0.789109D+00  0.331791D+01 -0.278862D+00 -0.983951D+00
               196           197           198           199           200 
      1   0.182106D+01 -0.257840D+00 -0.447732D+00  0.226512D+01  0.146064D+01
      2   0.108225D+01 -0.716678D+00 -0.292183D+00  0.906824D+00 -0.143336D+00
      3  -0.167271D+01 -0.122196D+01 -0.102559D+01  0.780703D+01  0.751656D+01
               201           202           203           204           205 
      1  -0.339095D+01  0.173577D+01  0.547225D+01 -0.572543D+01 -0.164754D+01
      2  -0.559315D+00  0.391161D+00  0.140945D+01 -0.114321D+01 -0.180695D+01
      3  -0.290885D+01  0.995467D+01  0.171612D+02 -0.419182D+01 -0.448008D+01
               206           207 
      1  -0.244914D+01  0.187832D+01
      2  -0.134616D+01  0.456529D+00
      3  -0.510176D+01  0.406494D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.200409D+00 -0.198186D+02  0.170438D+01  0.333097D+02  0.326646D+01
      2  -0.377011D+01  0.139340D+02  0.182273D+01 -0.317000D+02 -0.769626D+01
      3   0.356970D+01  0.588464D+01 -0.352712D+01 -0.160964D+01  0.442980D+01
      4  -0.177667D+02  0.142115D+02 -0.382910D+01  0.248647D+01 -0.155195D+02
      5   0.314316D+00 -0.427526D+01  0.107267D+02  0.393667D+01  0.776730D+01
      6  -0.134624D+01 -0.109673D+01  0.981994D+01  0.598678D+01  0.315397D+01
                 6             7             8             9            10 
      1   0.950377D+00 -0.903902D+01 -0.179977D+01  0.812061D+01 -0.353490D+01
      2  -0.158238D+01  0.959491D+01  0.385999D+01 -0.131465D+02 -0.841725D-01
      3   0.632004D+00 -0.555886D+00 -0.206022D+01  0.502589D+01  0.361907D+01
      4   0.766787D+01  0.363798D+00  0.755946D+01  0.164440D+02  0.705866D+01
      5   0.161491D+02  0.288691D+02  0.176153D+02 -0.634054D+01 -0.601450D+01
      6   0.297262D+01  0.100202D+02  0.127800D+02  0.144268D+01  0.682801D+00
                11            12            13            14            15 
      1   0.435513D+01 -0.440746D+01 -0.190798D+02 -0.223326D+02  0.549685D+01
      2  -0.128187D+01  0.144036D+01  0.172262D+02  0.223108D+02 -0.697607D+01
      3  -0.307326D+01  0.296711D+01  0.185360D+01  0.218475D-01  0.147921D+01
      4   0.244393D+02  0.338037D+00 -0.244715D+02  0.124072D+02 -0.484365D+01
      5   0.306167D-01  0.200605D+02  0.883768D+01 -0.624751D+01 -0.729229D+01
      6  -0.448615D+00 -0.416428D+01 -0.433976D+01 -0.284049D+01 -0.518580D+01
                16            17            18            19            20 
      1  -0.284390D+01  0.740977D+01  0.176076D+02  0.104177D+02  0.365519D+01
      2  -0.164215D+01 -0.548830D+01 -0.214256D+02 -0.711036D+01 -0.631580D+01
      3   0.448604D+01 -0.192147D+01  0.381791D+01 -0.330731D+01  0.266060D+01
      4   0.105796D+02 -0.177472D+01 -0.443052D+01  0.775701D+01 -0.255594D+02
      5   0.389663D+02 -0.700910D+01  0.721054D+01 -0.144344D+01  0.294596D+01
      6  -0.276261D+01  0.612357D+01  0.279434D+01  0.392267D+00 -0.162570D+01
                21            22            23            24            25 
      1   0.842556D+00  0.698365D+01  0.438587D+01 -0.382075D+01 -0.600362D+00
      2  -0.218851D+01  0.362706D+00 -0.107059D+02  0.546493D+01 -0.258677D+00
      3   0.134595D+01 -0.734636D+01  0.631998D+01 -0.164418D+01  0.859039D+00
      4   0.290130D+01  0.173432D+02  0.111430D+02  0.570562D+00 -0.308265D+01
      5  -0.622787D+01 -0.289748D+01  0.840892D+00  0.491383D+01  0.164744D+01
      6  -0.713499D+01 -0.142802D+01  0.796001D+01  0.743250D+01 -0.402342D+00
                26            27            28            29            30 
      1  -0.198470D+01 -0.150343D+02 -0.340920D+02  0.100263D+02 -0.629910D+00
      2   0.665984D+01  0.224609D+01  0.163794D+02 -0.274279D+01  0.440361D+00
      3  -0.467514D+01  0.127882D+02  0.177125D+02 -0.728349D+01  0.189549D+00
      4  -0.122808D+01  0.102796D+02 -0.936766D+01  0.621750D+01 -0.297373D+01
      5   0.102503D+02 -0.602099D+01  0.545518D+01 -0.216599D+01 -0.208401D+01
      6   0.153639D+02 -0.415975D+01 -0.225234D+01  0.478397D+00 -0.207530D+01
                31            32            33            34            35 
      1   0.115459D+02  0.112001D+01 -0.184517D+01 -0.587745D+01 -0.168098D+01
      2  -0.411295D+01  0.454341D+01  0.180096D+00  0.287395D+01  0.321547D+01
      3  -0.743290D+01 -0.566341D+01  0.166507D+01  0.300350D+01 -0.153449D+01
      4  -0.613697D+01  0.508248D+01 -0.250559D+01  0.172501D+01 -0.416817D+01
      5   0.263011D+00 -0.120148D+01 -0.500003D+00  0.140795D+01  0.806316D+00
      6  -0.138751D+01 -0.335084D+00  0.275833D-02 -0.217444D+01  0.453606D+01
                36            37            38            39            40 
      1  -0.104716D+02 -0.123358D+02 -0.270349D+02  0.418398D+01 -0.175750D+02
      2  -0.198592D+01  0.120569D+02  0.187016D+02 -0.313490D+01  0.598896D+01
      3   0.124575D+02  0.278874D+00  0.833337D+01 -0.104908D+01  0.115861D+02
      4  -0.160561D+01 -0.774386D+01 -0.133799D+01 -0.286541D+00  0.105608D+01
      5  -0.681737D+00 -0.133766D+01 -0.216341D+01 -0.166260D+01 -0.626388D+00
      6  -0.386846D+00 -0.295708D+01 -0.239195D+01  0.235376D+01  0.151979D+01
                41            42            43            44            45 
      1  -0.123874D+02 -0.110657D+01  0.218625D+01 -0.358208D+01 -0.143275D+02
      2   0.123748D+02 -0.122225D+01 -0.295182D+01  0.341534D+01  0.298357D+01
      3   0.125418D-01  0.232882D+01  0.765568D+00  0.166739D+00  0.113439D+02
      4  -0.915259D+01  0.441176D+00  0.117320D+01 -0.248882D+01 -0.865489D+00
      5  -0.595116D+00 -0.786574D+00  0.907598D+00 -0.281853D+01 -0.803076D+00
      6  -0.636587D+00  0.918236D+00  0.287110D+01  0.109428D+02 -0.707794D+00
                46            47            48            49            50 
      1   0.100819D+02  0.213492D+02 -0.260532D+00 -0.224351D+02  0.142107D+02
      2  -0.100675D+02 -0.152554D+02  0.175192D+01  0.193552D+02 -0.221046D+02
      3  -0.143872D-01 -0.609387D+01 -0.149139D+01  0.307993D+01  0.789396D+01
      4   0.102164D+02 -0.166923D+02  0.380569D+01  0.126023D+02 -0.122567D+01
      5  -0.344180D+00  0.524885D+01 -0.383507D+01 -0.705814D+00 -0.318461D+01
      6   0.398218D+01 -0.120701D+01  0.142417D+01 -0.316838D+01  0.768514D+01
                51            52            53            54            55 
      1  -0.231736D+01  0.395354D+01  0.168112D+01 -0.571370D+01  0.204203D+02
      2   0.508296D+01 -0.571335D+01  0.332301D+01 -0.436818D+01 -0.707719D+01
      3  -0.276561D+01  0.175982D+01 -0.500413D+01  0.100819D+02 -0.133431D+02
      4  -0.364161D+01  0.209356D+01 -0.685593D+01 -0.160007D+02 -0.383927D+01
      5  -0.119777D+02  0.104145D+02 -0.162013D+02  0.547017D+01 -0.255135D+01
      6   0.763384D+01 -0.545812D+01  0.142299D+02 -0.106390D+01  0.308787D+01
                56            57            58            59            60 
      1  -0.141624D+02  0.322146D+00 -0.180642D+02 -0.824451D+00  0.400178D+01
      2   0.126884D+02  0.622287D+00  0.170083D+02 -0.316408D+01 -0.777175D+01
      3   0.147393D+01 -0.944432D+00  0.105595D+01  0.398853D+01  0.376997D+01
      4  -0.929347D+01  0.205261D+01 -0.153855D+02  0.111051D+02  0.799178D+01
      5   0.230782D+01 -0.754631D+01  0.257433D+01  0.840606D+01  0.314867D+01
      6   0.244966D+01  0.468968D+01  0.387998D+01 -0.862535D+01 -0.500039D+01
                61            62            63            64            65 
      1   0.117433D+02  0.131482D+01  0.630984D+01 -0.490721D+02  0.963208D+01
      2   0.679431D+01 -0.129751D+02  0.549254D+01  0.273191D+02 -0.709152D+01
      3  -0.185377D+02  0.116603D+02 -0.118024D+02  0.217529D+02 -0.254056D+01
      4   0.637569D-01  0.998680D+01  0.834620D+01  0.981125D+01  0.671128D+01
      5  -0.120383D+02  0.665665D+01 -0.284577D+02 -0.139580D+02  0.735318D+00
      6   0.918004D+01 -0.409448D+01  0.152244D+02 -0.684608D+00 -0.151978D+01
                66            67            68            69            70 
      1  -0.988648D+01  0.198649D+02  0.132337D+02 -0.404172D+00 -0.147133D+02
      2   0.533943D+01 -0.138535D+02 -0.146378D+02  0.357969D+01  0.197557D+01
      3   0.454705D+01 -0.601139D+01  0.140408D+01 -0.317551D+01  0.127377D+02
      4   0.435632D+00  0.107833D+01 -0.238420D+01 -0.721262D+01 -0.253261D+01
      5  -0.157678D+01 -0.473585D+01 -0.773801D+01  0.533191D+01 -0.109812D+02
      6   0.304372D+00 -0.295232D+01 -0.190317D+01 -0.480968D+01 -0.251253D+01
                71            72            73            74            75 
      1   0.820261D+00  0.656282D+00  0.258254D+02  0.799761D+01 -0.145892D+00
      2   0.173515D+00  0.141622D+02 -0.144075D+02 -0.397762D+01 -0.191234D+01
      3  -0.993776D+00 -0.148184D+02 -0.114179D+02 -0.401999D+01  0.205823D+01
      4  -0.286274D+01 -0.391826D+01  0.149498D+02  0.142948D+02  0.659922D+01
      5  -0.240369D+01  0.366912D+02  0.780024D+01  0.386607D+01  0.108337D+02
      6  -0.683078D+00  0.319990D+01  0.587798D+01  0.569659D+01 -0.433858D+01
                76            77            78            79            80 
      1  -0.705708D+01 -0.117425D+02 -0.197665D+01  0.102263D+02 -0.843864D+00
      2   0.788101D+01  0.206173D+02  0.556191D+00 -0.666816D+01  0.255713D+01
      3  -0.823930D+00 -0.887489D+01  0.142045D+01 -0.355813D+01 -0.171327D+01
      4   0.138010D+02  0.188443D+02  0.679702D+01  0.713872D+01  0.780319D+01
      5   0.449434D+01  0.596429D+01 -0.370677D+01  0.114617D+02  0.721134D+01
      6   0.955543D+00  0.606808D+01  0.109523D+02  0.661737D+01  0.124890D+02
                81            82            83            84            85 
      1  -0.768919D+01 -0.124789D+02 -0.685993D+01 -0.336388D+01  0.120134D+02
      2  -0.422871D+01  0.875453D+01  0.132944D+02  0.653254D+01 -0.788845D+01
      3   0.119179D+02  0.372442D+01 -0.643443D+01 -0.316866D+01 -0.412499D+01
      4   0.959548D+01 -0.103433D+01 -0.611173D+01 -0.369727D+01  0.123848D+01
      5   0.220172D+01 -0.547240D+00 -0.116147D+01 -0.786674D+01  0.277677D+01
      6   0.340238D+01 -0.235567D+01  0.536799D+01  0.357032D+01  0.703914D+01
                86            87            88            89            90 
      1   0.368862D+02  0.203570D+01 -0.170578D+02 -0.622693D+01  0.281750D+02
      2  -0.408908D+02 -0.940745D+01  0.123931D+02 -0.731686D+01 -0.182180D+02
      3   0.400458D+01  0.737175D+01  0.466473D+01  0.135438D+02 -0.995702D+01
      4   0.286130D+01  0.380787D+01  0.305480D+01  0.525189D+01 -0.867866D+01
      5   0.329974D+01 -0.280196D+01 -0.596792D+01 -0.955263D+01  0.893006D+01
      6  -0.712369D+01 -0.156165D+02 -0.120185D+02 -0.350714D+02  0.276731D+02
                91            92            93            94            95 
      1   0.391328D+02  0.211090D+02 -0.180347D+01  0.173934D+02  0.117846D+02
      2  -0.133497D+02 -0.391967D+01  0.808871D+00  0.119315D+01  0.756216D+01
      3  -0.257831D+02 -0.171894D+02  0.994595D+00 -0.185865D+02 -0.193468D+02
      4   0.430061D+02  0.330911D+02 -0.208852D+01  0.388367D+02  0.410041D+02
      5  -0.335432D+01 -0.191060D+01  0.667542D+01 -0.406880D+01 -0.378237D+01
      6  -0.459015D+00 -0.428139D+00  0.305864D+01 -0.188741D+01 -0.187989D+01
                96            97            98            99           100 
      1  -0.142128D+01  0.444380D-01 -0.480447D+00  0.285712D-01  0.989373D+02
      2   0.475141D+00 -0.110091D+01 -0.794294D+00  0.836086D+00 -0.558346D+02
      3   0.946139D+00  0.105647D+01  0.127474D+01 -0.864657D+00 -0.431027D+02
      4  -0.374091D+01 -0.286182D+01 -0.380913D+01  0.180698D+01 -0.256106D+02
      5   0.495927D+01  0.983761D+00  0.379423D+00 -0.420080D+00  0.104831D+02
      6   0.462583D+01  0.580050D+00  0.116595D+01 -0.883480D+00  0.162323D+00
               101           102           103           104           105 
      1  -0.177715D+02  0.681054D+01 -0.168513D+02  0.122252D+02 -0.223243D+01
      2   0.903362D+01 -0.458584D+01  0.770597D+01 -0.538069D+01  0.166048D+01
      3   0.873789D+01 -0.222470D+01  0.914535D+01 -0.684447D+01  0.571951D+00
      4   0.133141D+02 -0.176323D+01  0.199383D+02 -0.920932D+01  0.180010D+01
      5  -0.194918D+01  0.103090D+02 -0.402311D+01  0.205001D+01 -0.247466D+01
      6   0.349327D+00 -0.127244D+01  0.105994D+01 -0.402157D+00  0.209959D+01
               106           107           108           109           110 
      1   0.884056D+01 -0.314624D+01  0.202380D+01 -0.410016D+01  0.486860D+01
      2  -0.485850D+01  0.190181D+01 -0.100736D+01  0.543619D+01 -0.461589D+01
      3  -0.398206D+01  0.124443D+01 -0.101643D+01 -0.133603D+01 -0.252707D+00
      4  -0.428211D+01  0.201811D+01 -0.131448D+01 -0.603595D+00  0.641718D+01
      5   0.178465D+01 -0.341116D+00  0.130536D+01 -0.566973D+00 -0.143176D+00
      6  -0.261615D+00  0.748272D+00 -0.583423D+00 -0.638388D+00  0.122061D+01
               111           112           113           114           115 
      1  -0.122336D+01  0.484177D+01 -0.336784D+02  0.576242D+01 -0.719339D+00
      2   0.641454D+00 -0.513701D+01  0.465600D+02 -0.560368D+01  0.590231D+00
      3   0.581910D+00  0.295248D+00 -0.128817D+02 -0.158745D+00  0.129108D+00
      4  -0.279144D+00  0.518740D+01  0.131561D+02 -0.263199D+01 -0.394331D+00
      5   0.117696D+01 -0.193397D+00 -0.336252D+01  0.156428D+01  0.683714D+00
      6  -0.638026D+00  0.483228D+00 -0.994322D+01  0.780365D+01 -0.260908D+00
               116           117           118           119           120 
      1   0.542473D+01 -0.215685D+01  0.300184D+01 -0.342481D+01  0.380758D+00
      2  -0.687626D+01  0.247109D+01  0.280930D+01 -0.350794D+01  0.563829D-01
      3   0.145153D+01 -0.314241D+00 -0.581114D+01  0.693275D+01 -0.437141D+00
      4  -0.175718D+01 -0.817662D+00 -0.129755D+02  0.177401D+02 -0.251365D+01
      5  -0.102898D+00  0.492922D+00  0.205678D+01 -0.264581D+01  0.310004D+01
      6   0.364875D+01 -0.200864D+01 -0.149431D+01  0.190685D+01 -0.198363D+01
               121           122           123           124           125 
      1   0.536461D+00 -0.197410D+02  0.275404D+01 -0.151353D-02  0.206426D+01
      2  -0.854240D+01  0.399280D+02 -0.361192D+01  0.130011D+01 -0.410436D+01
      3   0.800594D+01 -0.201870D+02  0.857877D+00 -0.129860D+01  0.204011D+01
      4   0.201194D+02 -0.448853D+02  0.577425D+01 -0.370317D+01  0.665210D+01
      5  -0.277158D+01  0.583730D+01 -0.452646D+01  0.121046D+01 -0.126344D+01
      6   0.280179D+01 -0.848013D+01  0.780374D+01 -0.140166D+01  0.364962D+01
               126           127           128           129           130 
      1  -0.197723D+01  0.299768D+01  0.130131D+01  0.240971D+01  0.291868D+01
      2   0.271556D+01 -0.643360D+01 -0.144741D+01 -0.400147D+01 -0.337801D+01
      3  -0.738333D+00  0.343592D+01  0.146102D+00  0.159175D+01  0.459329D+00
      4  -0.157017D+01 -0.250405D+01  0.609550D+01 -0.334152D+01  0.812933D+01
      5   0.832683D+00  0.878377D+01 -0.223174D+01  0.131244D+02 -0.190724D+01
      6  -0.222514D+01 -0.425515D+01  0.820101D+00 -0.315730D+01  0.178755D+01
               131           132           133           134           135 
      1  -0.430652D+01  0.153016D+01 -0.186988D+01  0.423133D+01 -0.149480D+02
      2   0.211743D+01 -0.915666D+00 -0.760794D+01 -0.169449D+00 -0.164986D+02
      3   0.218909D+01 -0.614495D+00  0.947781D+01 -0.406189D+01  0.314466D+02
      4  -0.641227D+01  0.355415D+01 -0.709440D+01  0.612758D+01 -0.617370D+01
      5   0.332741D+01 -0.294528D+01  0.177516D+02 -0.607890D+01  0.304852D+02
      6  -0.219296D+01  0.857647D+01 -0.778976D+01  0.729700D+01 -0.184450D+02
               136           137           138           139           140 
      1  -0.317021D+02  0.279752D+02 -0.148564D+01  0.239586D+02  0.698552D+01
      2   0.651361D+01 -0.263793D+02  0.555843D+01 -0.250743D+02 -0.104181D+02
      3   0.251885D+02 -0.159591D+01 -0.407279D+01  0.111572D+01  0.343261D+01
      4   0.388583D+02 -0.665085D+01  0.239281D+01  0.479172D+01 -0.140074D+02
      5  -0.538764D+00 -0.188491D+01  0.681722D+01 -0.114792D+01 -0.114945D+02
      6   0.501927D+01 -0.571904D+00 -0.808943D+01 -0.243719D+01  0.185713D+02
               141           142           143           144           145 
      1  -0.107759D+02 -0.310307D+01 -0.938368D+01  0.136741D+02  0.795094D+02
      2   0.167636D+02  0.133948D+00  0.202972D+02  0.374126D+01 -0.454276D+02
      3  -0.598771D+01  0.296912D+01 -0.109136D+02 -0.174154D+02 -0.340818D+02
      4  -0.783291D+01  0.684371D+01 -0.117045D+02 -0.825871D+01  0.116584D+00
      5  -0.308847D+00  0.685487D+01 -0.132532D+01  0.165767D+02  0.108964D+02
      6   0.353503D+01 -0.792873D+01  0.165963D+01 -0.231769D+02  0.855896D+00
               146           147           148           149           150 
      1  -0.420290D+01  0.932538D+01 -0.102078D+02  0.668379D+01 -0.444285D+00
      2   0.283397D+01 -0.540281D+01  0.608108D+01 -0.221310D+01  0.831382D+00
      3   0.136893D+01 -0.392257D+01  0.412670D+01 -0.447069D+01 -0.387098D+00
      4   0.942896D+01  0.535772D-01  0.115738D+02 -0.250859D+01  0.244661D+01
      5  -0.326881D+00  0.104847D+02 -0.821480D+00  0.278802D+01 -0.650519D+00
      6   0.405354D+00  0.345997D+00  0.561019D+00  0.243260D+00  0.153214D+01
               151           152           153           154           155 
      1   0.160926D+02 -0.923144D+00  0.814638D+01  0.757953D+01 -0.346908D+00
      2  -0.102766D+02  0.894596D+00 -0.739445D+01 -0.633760D+01  0.170645D+00
      3  -0.581600D+01  0.285474D-01 -0.751933D+00 -0.124193D+01  0.176262D+00
      4  -0.337241D+00  0.395484D+01  0.171344D+00  0.532150D+00 -0.792395D+00
      5   0.138555D+02 -0.423839D+00  0.427351D+01 -0.525889D+01 -0.196692D+00
      6   0.481567D+00  0.965368D+00 -0.988068D-01 -0.832594D+00 -0.468347D-01
               156           157           158           159           160 
      1  -0.452520D+01 -0.189408D+00 -0.331698D+01  0.159469D+01 -0.802855D+01
      2   0.269099D+01  0.417200D+00  0.707042D+00 -0.603849D+00  0.111977D+02
      3   0.183421D+01 -0.227792D+00  0.260994D+01 -0.990840D+00 -0.316914D+01
      4  -0.965990D+00  0.280165D+01  0.125433D+01 -0.483799D+01 -0.150952D+01
      5   0.382198D+01 -0.360829D-01 -0.465551D+01  0.128804D+01  0.181435D+02
      6   0.168738D+00 -0.156953D+01 -0.146510D+01  0.732282D+01  0.213828D+01
               161           162           163           164           165 
      1   0.645727D+00 -0.453212D+01 -0.120465D+01  0.935037D+01  0.348091D+01
      2  -0.826171D+00 -0.201133D+02  0.375024D+01 -0.134614D+02 -0.335469D+01
      3   0.180444D+00  0.246454D+02 -0.254559D+01  0.411103D+01 -0.126212D+00
      4  -0.790840D+01  0.288423D+01 -0.260359D+01  0.885740D+01  0.314407D+01
      5   0.138537D+01 -0.381894D+02 -0.143868D+00  0.118017D+01  0.252347D+01
      6   0.430978D+01 -0.598694D+01  0.406951D+01 -0.414053D+01 -0.191643D+01
               166           167           168           169           170 
      1  -0.727656D+00 -0.395853D+02 -0.983094D+01  0.217113D+01 -0.167140D+02
      2   0.794910D+00  0.580094D+02  0.144057D+02 -0.775272D+00  0.230528D+02
      3  -0.672532D-01 -0.184241D+02 -0.457475D+01 -0.139586D+01 -0.633882D+01
      4   0.636792D+01  0.201272D+01 -0.237898D+00  0.383582D+01  0.447816D+00
      5   0.665699D+00  0.114089D+01  0.148997D+01  0.239986D+01  0.233696D+01
      6  -0.297843D+00  0.179675D+02  0.126268D+02  0.187762D+01  0.194237D+02
               171           172           173           174           175 
      1  -0.126240D+02  0.213142D+00 -0.109932D+00  0.686357D+00 -0.318109D+01
      2   0.121368D+02 -0.168596D+01 -0.409925D+00  0.450435D+00  0.382538D+01
      3   0.487171D+00  0.147282D+01  0.519858D+00 -0.113679D+01 -0.644287D+00
      4   0.791306D+00  0.527269D+01  0.695350D+01 -0.558538D+01  0.400554D+01
      5  -0.629086D-01 -0.414444D+01 -0.370353D+01  0.822269D+01 -0.198816D+01
      6   0.964193D+01 -0.685696D+01 -0.370588D+01  0.480336D+01 -0.382446D+01
               176           177           178           179           180 
      1  -0.189367D+02  0.894277D+01  0.519405D+01  0.224116D+02 -0.271419D+02
      2   0.201528D+02 -0.811902D+01 -0.301471D+01 -0.152485D+02  0.855119D+01
      3  -0.121610D+01 -0.823746D+00 -0.217934D+01 -0.716309D+01  0.185907D+02
      4   0.599318D+01 -0.411295D+01 -0.952957D+01 -0.822625D+01  0.780632D+01
      5  -0.414456D+01  0.335004D+01  0.787479D+01  0.916373D+01 -0.120260D+02
      6  -0.140641D+02  0.143083D+02  0.929180D+01  0.306039D+02 -0.376065D+02
               181           182           183           184           185 
      1   0.912248D+00 -0.481153D+01 -0.522007D+01 -0.158798D+01 -0.407599D+01
      2  -0.161235D+01  0.495975D+01  0.148390D+00  0.141813D+01  0.279606D+01
      3   0.700104D+00 -0.148221D+00  0.507168D+01  0.169854D+00  0.127993D+01
      4  -0.167049D+01  0.580936D+00  0.283828D+01  0.864860D-01  0.143079D+01
      5  -0.104195D+01  0.299877D+00  0.365764D+00 -0.499754D+00 -0.625248D+00
      6   0.261149D+01  0.200064D+01  0.564341D+01  0.344421D+00  0.175493D+01
               186           187           188           189           190 
      1  -0.130723D+01 -0.403843D+01 -0.663285D+01 -0.195144D+02  0.516373D+02
      2   0.284739D+01  0.981651D+00  0.600745D+01 -0.794930D+01 -0.163685D+02
      3  -0.154017D+01  0.305678D+01  0.625399D+00  0.274637D+02 -0.352689D+02
      4  -0.106838D+01  0.710179D+01 -0.610430D+01  0.194455D+00 -0.554641D+02
      5   0.811600D+00  0.540039D+01 -0.456290D+01 -0.215498D+02 -0.504272D+01
      6   0.433590D+01 -0.498081D+00  0.110796D+02  0.328332D+02  0.344361D+00
               191           192           193           194           195 
      1  -0.119260D+02  0.170185D+01 -0.564768D+01  0.302886D+01  0.754119D+00
      2  -0.364199D+01 -0.546682D+00 -0.309287D+01  0.561362D+01 -0.160962D+01
      3   0.155680D+02 -0.115517D+01  0.874055D+01 -0.864248D+01  0.855505D+00
      4   0.302539D+02 -0.131251D+00  0.175624D+02 -0.125499D+02  0.922851D+00
      5   0.219128D+01  0.909750D+01  0.895228D+00  0.535075D+00 -0.159497D+01
      6  -0.200360D+01 -0.647877D+01 -0.798144D+00 -0.735872D+00  0.208633D+01
               196           197           198           199           200 
      1   0.345221D+01  0.916309D+00  0.288132D+01 -0.238788D+01 -0.145821D+02
      2  -0.120710D+01 -0.314915D+01 -0.236265D+01  0.656823D+01  0.201479D+02
      3  -0.224511D+01  0.223284D+01 -0.518663D+00 -0.418035D+01 -0.556584D+01
      4  -0.426780D+01  0.333789D+01 -0.478916D+01  0.103125D+01  0.132299D+01
      5   0.862184D+01 -0.338643D+01 -0.591150D-01  0.131394D+01  0.137379D+01
      6  -0.502977D+01  0.340610D+01  0.946944D+00 -0.295359D+01 -0.150884D+01
               201           202           203           204           205 
      1   0.219060D+01 -0.904640D+01 -0.318777D+02  0.671240D+01  0.344457D+01
      2  -0.372097D+01  0.100899D+02  0.519077D+02 -0.105291D+02 -0.230390D+01
      3   0.153037D+01 -0.104346D+01 -0.200300D+02  0.381667D+01 -0.114067D+01
      4  -0.168477D+01  0.695632D+01 -0.110133D+02  0.170772D+01 -0.437857D+01
      5  -0.171170D+01  0.197932D+01  0.507444D+01 -0.344062D+01 -0.283350D+00
      6   0.506678D+01 -0.151317D+01 -0.735528D+01  0.887241D+01  0.286753D+01
               206           207 
      1   0.953137D+01 -0.804540D+01
      2  -0.153572D+02  0.680957D+01
      3   0.582578D+01  0.123583D+01
      4   0.574853D+01  0.103244D+00
      5  -0.290893D+01  0.956740D+00
      6   0.891824D+01 -0.440463D+01
 Leave Link  716 at Thu Jul  8 23:54:35 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149969D+03 -0.257358D+01  0.815447D+00
      2  -0.257358D+01  0.133492D+03 -0.457888D+01
      3   0.815447D+00 -0.457888D+01  0.848289D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.454775D+01  0.208965D+00 -0.122571D+02
      2   0.559065D+01 -0.121279D+02 -0.583979D+00
      3   0.791579D+01 -0.472653D+02  0.931254D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.133817D+03  0.644811D+01 -0.618630D+01
      2  -0.724843D+02  0.200936D+02 -0.135038D+02
      3  -0.613323D+02 -0.265417D+02  0.196901D+02
      4   0.566832D+02  0.638268D+02 -0.180376D+02
      5   0.162743D+02 -0.185813D+02 -0.747376D+01
      6  -0.483445D+01  0.122516D+02  0.202496D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.150887D+01  0.199364D+01 -0.678503D+00  0.545032D+01 -0.599813D+00
      2   0.199364D+01  0.237116D+01 -0.226331D+00 -0.599813D+00  0.261222D+01
      3  -0.678503D+00 -0.226331D+00  0.216254D+01  0.935114D+00  0.429490D+00
                 6             7             8             9            10 
      1   0.935114D+00 -0.129825D+01  0.578912D+00  0.407226D+01  0.583252D+01
      2   0.429490D+00  0.578912D+00  0.728221D+00  0.335222D+01 -0.116383D+01
      3   0.240835D+01  0.407226D+01  0.335222D+01 -0.877625D+00 -0.238580D+00
                11            12            13            14            15 
      1  -0.116383D+01 -0.238580D+00 -0.204281D+01 -0.195919D+01  0.937693D+00
      2   0.282206D+01  0.618918D-01 -0.195919D+01 -0.271063D+01  0.272569D-01
      3   0.618918D-01  0.291424D+01  0.937693D+00  0.272569D-01 -0.998883D+00
                16            17            18            19            20 
      1   0.208794D-02  0.101858D+01  0.539793D+01  0.829254D+00 -0.499615D+01
      2   0.101858D+01  0.325887D+00 -0.128715D+01 -0.499615D+01 -0.117798D+01
      3   0.539793D+01 -0.128715D+01  0.117928D+01  0.655088D+00 -0.241043D+00
                21            22            23            24            25 
      1   0.655088D+00  0.482968D+01 -0.121903D+01  0.105968D+00 -0.121932D+00
      2  -0.241043D+00 -0.121903D+01  0.270751D+01  0.539315D+00 -0.281649D+00
      3  -0.103215D+01  0.105968D+00  0.539315D+00  0.195979D+01 -0.130235D+00
                26            27            28            29            30 
      1  -0.281649D+00 -0.130235D+00 -0.130296D+02  0.466637D+01 -0.143009D+01
      2   0.424369D+00  0.369157D+01  0.466637D+01 -0.476246D+01  0.707546D+00
      3   0.369157D+01 -0.174481D+01 -0.143009D+01  0.707546D+00 -0.170740D+01
                31            32            33            34            35 
      1   0.822941D+01  0.259755D+01 -0.306670D+00 -0.109703D+01 -0.680966D+00
      2   0.259755D+01  0.182671D+01  0.286907D+00 -0.680966D+00  0.870934D-01
      3  -0.306670D+00  0.286907D+00 -0.100576D-01 -0.294053D+01  0.135596D+01
                36            37            38            39            40 
      1  -0.294053D+01 -0.291794D+00 -0.400582D+01  0.495217D+00 -0.127570D+02
      2   0.135596D+01 -0.400582D+01 -0.698484D+01  0.105843D+01 -0.307861D+01
      3  -0.135229D+01  0.495217D+00  0.105843D+01 -0.156021D+01  0.204477D+00
                41            42            43            44            45 
      1  -0.307861D+01  0.204477D+00  0.197024D+01 -0.525541D-01 -0.194940D+01
      2  -0.608292D+01  0.219873D-01 -0.525541D-01 -0.475564D+00 -0.298869D+01
      3   0.219873D-01 -0.735912D+00 -0.194940D+01 -0.298869D+01  0.706259D+00
                46            47            48            49            50 
      1  -0.319246D+01  0.366136D+01 -0.563933D+00 -0.463638D+01  0.846074D+00
      2   0.366136D+01  0.334402D+01 -0.693837D-01  0.846074D+00 -0.104627D+01
      3  -0.563933D+00 -0.693837D-01 -0.126217D+00  0.402335D-01 -0.602645D+00
                51            52            53            54            55 
      1   0.402335D-01 -0.432556D-02  0.752604D+00  0.166593D+01  0.242434D+01
      2  -0.602645D+00  0.752604D+00 -0.311048D+00 -0.368101D+01 -0.529805D+00
      3  -0.239688D+01  0.166593D+01 -0.368101D+01  0.135640D+01  0.707569D+00
                56            57            58            59            60 
      1  -0.529805D+00  0.707569D+00 -0.895607D+00  0.420794D+01 -0.404852D+00
      2   0.318850D+01 -0.245816D+00  0.420794D+01 -0.187599D+01 -0.190962D+01
      3  -0.245816D+00  0.177958D+01 -0.404852D+00 -0.190962D+01 -0.943216D+00
                61            62            63            64            65 
      1   0.263370D+01 -0.540811D+00  0.300721D+01  0.686364D+01 -0.182633D+01
      2  -0.540811D+00 -0.214980D+01 -0.129100D+01 -0.182633D+01 -0.234446D+01
      3   0.300721D+01 -0.129100D+01  0.773106D+01  0.180913D+01 -0.325803D-01
                66            67            68            69            70 
      1   0.180913D+01 -0.417357D+01 -0.166686D+01  0.615961D+00  0.203942D+01
      2  -0.325803D-01 -0.166686D+01  0.138855D+01  0.132766D+01  0.814593D-01
      3  -0.190352D+00  0.615961D+00  0.132766D+01 -0.628061D+00  0.183759D+01
                71            72            73            74            75 
      1   0.814593D-01  0.183759D+01 -0.554191D+01 -0.133841D+01 -0.153597D+01
      2   0.166342D+01  0.489733D+00 -0.133841D+01  0.617287D+00 -0.108471D+01
      3   0.489733D+00 -0.767801D+01 -0.153597D+01 -0.108471D+01  0.177729D+00
                76            77            78            79            80 
      1   0.585226D+00 -0.121933D+01 -0.627922D+00 -0.184716D+01  0.215468D+00
      2  -0.121933D+01 -0.520442D+01 -0.138666D+01  0.215468D+00 -0.135105D+01
      3  -0.627922D+00 -0.138666D+01  0.192160D+00 -0.171248D+01 -0.201996D+01
                81            82            83            84            85 
      1  -0.171248D+01  0.304411D+01  0.470207D+00  0.259962D+00  0.108877D+01
      2  -0.201996D+01  0.470207D+00 -0.124649D+01 -0.584742D+00  0.249804D+01
      3  -0.699567D-01  0.259962D+00 -0.584742D+00 -0.109476D+00 -0.126533D+01
                86            87            88            89            90 
      1   0.249804D+01 -0.126533D+01 -0.841378D+00 -0.279217D+01  0.213324D+01
      2   0.798655D+01  0.344717D+00 -0.279217D+01 -0.102174D+01  0.570954D+01
      3   0.344717D+00  0.216147D+01  0.213324D+01  0.570954D+01 -0.514571D+01
                91            92            93            94            95 
      1   0.685560D+01  0.433220D+01 -0.325425D+00  0.434842D+01  0.436947D+01
      2   0.433220D+01  0.331553D+01 -0.184705D+00  0.436947D+01  0.510911D+01
      3  -0.325425D+00 -0.184705D+00  0.593028D+00 -0.512876D+00 -0.496249D+00
                96            97            98            99           100 
      1  -0.512876D+00 -0.160338D+00 -0.351881D+00 -0.880376D-01  0.126717D+02
      2  -0.496249D+00 -0.351881D+00 -0.549583D+00 -0.263629D-01 -0.243810D+01
      3   0.609728D+00 -0.880376D-01 -0.263629D-01 -0.309201D-01  0.101011D+01
               101           102           103           104           105 
      1  -0.243810D+01  0.101011D+01 -0.248572D+01  0.207612D+01 -0.442369D+00
      2   0.117856D+01 -0.182471D+00  0.207612D+01 -0.104711D+01  0.232230D+00
      3  -0.182471D+00  0.871577D+00 -0.442369D+00  0.232230D+00 -0.270652D+00
               106           107           108           109           110 
      1   0.116645D+01 -0.514127D+00 -0.537400D-01 -0.791318D+00  0.140546D+01
      2  -0.514127D+00  0.153911D+00 -0.172829D-01  0.140546D+01 -0.908597D+00
      3  -0.537400D-01 -0.172829D-01  0.680619D-01 -0.786541D-01  0.146475D+00
               111           112           113           114           115 
      1  -0.786541D-01  0.124046D+01 -0.106332D+01  0.895534D-01 -0.221028D+00
      2   0.146475D+00 -0.106332D+01  0.873542D+01 -0.136470D+01  0.241292D+00
      3  -0.509877D-01  0.895534D-01 -0.136470D+01  0.933194D+00  0.176656D-01
               116           117           118           119           120 
      1   0.241292D+00  0.176656D-01  0.139319D+01 -0.191607D+01  0.286375D+00
      2  -0.147967D+01  0.245004D+00 -0.191607D+01  0.215147D+01 -0.342557D+00
      3   0.245004D+00 -0.221305D+00  0.286375D+00 -0.342557D+00  0.353200D+00
               121           122           123           124           125 
      1  -0.187243D+01  0.288882D+01 -0.410513D+00  0.435315D+00 -0.492811D+00
      2   0.288882D+01 -0.967964D+01  0.126376D+01 -0.492811D+00  0.136854D+01
      3  -0.410513D+00  0.126376D+01 -0.929681D+00  0.136455D+00 -0.265448D+00
               126           127           128           129           130 
      1   0.136455D+00 -0.205917D+01  0.286193D+00 -0.177547D+01  0.744853D+00
      2  -0.265448D+00  0.286193D+00 -0.682883D+00  0.314597D+00 -0.165201D+01
      3   0.201633D+00 -0.177547D+01  0.314597D+00 -0.164843D+01  0.429508D+00
               131           132           133           134           135 
      1  -0.165201D+01  0.429508D+00 -0.471838D+01  0.130136D+01 -0.314865D+01
      2   0.138411D+01 -0.934683D+00  0.130136D+01 -0.154250D+01  0.138410D+01
      3  -0.934683D+00  0.813217D+00 -0.314865D+01  0.138410D+01 -0.838645D+01
               136           137           138           139           140 
      1   0.775536D+01 -0.311178D+01  0.103349D+01 -0.440912D+00 -0.357817D+01
      2  -0.311178D+01 -0.247385D+01  0.227805D-02 -0.357817D+01  0.777421D+00
      3   0.103349D+01  0.227805D-02 -0.177695D+01  0.455456D-01  0.292780D+01
               141           142           143           144           145 
      1   0.455456D-01  0.158727D+01 -0.828229D+00 -0.146854D+01 -0.118627D+02
      2   0.292780D+01 -0.828229D+00  0.380895D+01 -0.149191D+00  0.566030D+00
      3   0.314975D+00 -0.146854D+01 -0.149191D+00 -0.558252D+01 -0.141659D+01
               146           147           148           149           150 
      1   0.566030D+00 -0.141659D+01  0.166980D+01 -0.129714D+01  0.106858D+00
      2  -0.103875D+01  0.225423D-01 -0.129714D+01  0.414381D+00 -0.406872D+00
      3   0.225423D-01 -0.112279D+01  0.106858D+00 -0.406872D+00  0.594919D-02
               151           152           153           154           155 
      1  -0.291058D+01  0.144755D+00 -0.170311D+01 -0.118195D+01  0.715143D-01
      2   0.144755D+00 -0.736720D+00  0.279006D-01  0.715143D-01  0.371680D+00
      3  -0.170311D+01  0.279006D-01 -0.350758D+00  0.970093D+00  0.248300D-01
               156           157           158           159           160 
      1   0.970093D+00  0.176237D+00 -0.226715D+00 -0.569887D-01  0.217183D+01
      2   0.248300D-01 -0.226715D+00 -0.220452D+00  0.101085D+01 -0.352271D-03
      3   0.204629D+00 -0.569887D-01  0.101085D+01 -0.316385D+00 -0.266852D+01
               161           162           163           164           165 
      1  -0.352271D-03 -0.266852D+01  0.782990D+00 -0.729162D+00 -0.619011D+00
      2   0.159509D+01 -0.238123D+00 -0.729162D+00  0.229898D+01  0.546644D+00
      3  -0.238123D+00  0.774974D+01 -0.619011D+00  0.546644D+00  0.253368D+00
               166           167           168           169           170 
      1  -0.146921D+01 -0.544974D+00  0.182639D+00 -0.936671D+00  0.178250D+00
      2  -0.544974D+00 -0.933209D+01 -0.227301D+01  0.178250D+00 -0.380153D+01
      3   0.182639D+00 -0.227301D+01 -0.163533D+01 -0.188219D+00 -0.269194D+01
               171           172           173           174           175 
      1  -0.188219D+00 -0.143845D+01 -0.986747D+00  0.132787D+01 -0.669177D+00
      2  -0.269194D+01 -0.986747D+00 -0.296208D+00  0.536602D+00 -0.122706D+01
      3  -0.135736D+01  0.132787D+01  0.536602D+00 -0.952729D+00  0.588638D+00
               176           177           178           179           180 
      1  -0.122706D+01  0.588638D+00  0.299486D+01  0.199260D+01 -0.155803D+01
      2  -0.417874D+01  0.212963D+01  0.199260D+01  0.476902D+01 -0.472195D+01
      3   0.212963D+01 -0.166249D+01 -0.155803D+01 -0.472195D+01  0.690165D+01
               181           182           183           184           185 
      1  -0.181078D+00  0.288400D+00  0.705569D+00 -0.317104D+00  0.409084D+00
      2   0.288400D+00  0.711087D+00  0.237780D+00  0.409084D+00  0.138545D+00
      3   0.705569D+00  0.237780D+00  0.124462D+01  0.735556D-01  0.443519D+00
               186           187           188           189           190 
      1   0.735556D-01  0.134065D+01 -0.421513D+00 -0.132192D+00 -0.109687D+02
      2   0.443519D+00 -0.421513D+00  0.172880D+01  0.143377D+01  0.418817D+01
      3  -0.200480D+00 -0.132192D+00  0.143377D+01  0.722528D+01 -0.164930D-01
               191           192           193           194           195 
      1   0.418817D+01 -0.164930D-01  0.190345D+01 -0.153968D+01  0.162077D-01
      2  -0.294310D+01 -0.215851D+00 -0.153968D+01  0.140230D+01 -0.287398D+00
      3  -0.215851D+00 -0.107713D+01  0.162077D-01 -0.287398D+00  0.165283D+00
               196           197           198           199           200 
      1  -0.111084D+01  0.389755D+00 -0.998669D+00  0.577631D+00  0.111265D+01
      2   0.389755D+00 -0.805988D+00  0.507287D+00  0.111265D+01  0.248928D+01
      3  -0.998669D+00  0.507287D+00  0.166930D+00 -0.581745D+00 -0.249432D+00
               201           202           203           204           205 
      1  -0.581745D+00  0.149333D+01  0.978808D+00 -0.344430D+00 -0.107392D+01
      2  -0.249432D+00  0.978808D+00  0.689542D+01 -0.132328D+01  0.620270D-01
      3   0.800310D+00 -0.344430D+00 -0.132328D+01  0.116390D+01  0.472061D+00
               206           207 
      1   0.620270D-01  0.472061D+00
      2  -0.242810D+01  0.118102D+01
      3   0.118102D+01 -0.488589D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.934057D+00 -0.123242D+00 -0.437547D+01 -0.160143D+01  0.118695D+00
      2  -0.109368D+01 -0.171407D+01  0.474632D+01  0.143450D+01  0.242940D+01
      3  -0.516933D+01 -0.135992D+02  0.122574D+01  0.714952D+01 -0.107250D+01
                 6             7             8             9            10 
      1  -0.711857D+00 -0.821493D+01  0.522659D+01 -0.109766D+01 -0.378104D-01
      2   0.762867D+01  0.690761D+00  0.118596D+02 -0.305279D+01  0.806931D+00
      3  -0.124513D+01 -0.224007D+01 -0.293153D+01 -0.476076D+01  0.368129D+01
                11            12            13            14            15 
      1  -0.149245D+00  0.176903D+01  0.297834D+00  0.263560D+01  0.235206D+01
      2  -0.165402D+00  0.911736D+01  0.311295D+01 -0.137203D+01 -0.343311D+01
      3  -0.106159D+02  0.300301D+00  0.114159D+02  0.220940D+00  0.163846D+01
                16            17            18            19            20 
      1   0.400463D+01  0.111573D+02 -0.151851D+01 -0.728384D-01  0.369095D-01
      2   0.935456D+01 -0.544992D+01  0.359490D+01  0.238444D+01 -0.216695D+01
      3  -0.309367D+01  0.787447D+00  0.202742D+01  0.744844D+01 -0.479609D+01
                21            22            23            24            25 
      1   0.365525D+01  0.855496D+00  0.100689D+00 -0.355807D+01  0.244913D+01
      2  -0.234187D+01 -0.143726D+01 -0.210607D+00  0.324716D+01 -0.143831D+02
      3   0.176545D+01  0.517592D+01 -0.894812D+01 -0.507600D+00  0.350463D+01
                26            27            28            29            30 
      1   0.750085D+00  0.121484D+01 -0.346987D+00 -0.356748D+00  0.147547D+01
      2   0.437257D+01 -0.251049D+01  0.118834D+01  0.154305D+01 -0.219264D+01
      3  -0.101720D+01 -0.687989D+01 -0.327167D+01  0.125648D+02 -0.191184D+01
                31            32            33            34            35 
      1  -0.147698D+01  0.194620D+01 -0.494811D+00  0.259523D+01  0.103949D+02
      2   0.688778D+00 -0.100538D+01  0.395867D+00 -0.141899D+02  0.100129D+01
      3   0.121663D+02 -0.100227D+02  0.216379D+01  0.981741D+00  0.219617D+01
                36            37            38            39            40 
      1  -0.663659D+00  0.131461D+01  0.280934D+00 -0.115699D+01 -0.367844D+00
      2  -0.120502D+01  0.151836D+00 -0.368739D+00 -0.139496D+01 -0.318125D+01
      3  -0.251041D+01 -0.676317D+01  0.549831D+01 -0.661968D+00  0.108005D+02
                41            42            43            44            45 
      1   0.181081D+01 -0.637644D+00 -0.322227D+01  0.727386D+01 -0.592080D+00
      2   0.194376D+01 -0.104161D+01 -0.145465D+02 -0.901754D-01  0.248581D+00
      3   0.193894D+02 -0.221188D+01 -0.130052D+01 -0.325338D+00  0.401858D+01
                46            47            48            49            50 
      1  -0.134885D+01  0.190458D+00 -0.130883D+01 -0.220016D+00 -0.298346D+00
      2  -0.276005D+00 -0.585025D+00 -0.104197D+01 -0.169442D+01 -0.152092D+01
      3  -0.677773D+00 -0.137554D+02  0.133353D+01 -0.577003D+00  0.515237D+01
                51            52            53            54            55 
      1  -0.338575D+01  0.261297D+01  0.143575D+01  0.173362D+00  0.809561D+00
      2  -0.607722D+01 -0.984389D+01 -0.966071D+01  0.267591D+01  0.158730D+00
      3   0.874691D+00  0.155153D+01  0.105619D+01  0.684386D+01  0.354814D+01
                56            57            58            59            60 
      1   0.378387D+00 -0.243881D+01 -0.191166D+01  0.403979D+01 -0.227325D+00
      2  -0.502868D+00  0.325039D+00  0.395568D+00  0.447251D+01  0.703572D+00
      3  -0.890498D+00 -0.682437D+00  0.146016D+02  0.392032D+01 -0.540770D+01
                61            62            63            64            65 
      1  -0.428958D+01  0.753681D+01 -0.499999D+01 -0.419501D+00  0.305829D+00
      2  -0.854215D+01  0.115377D+01 -0.110629D+02 -0.917911D+01  0.102514D+01
      3   0.192655D+01 -0.701087D+01  0.125216D+01 -0.833655D+01 -0.984003D+01
                66            67            68            69            70 
      1  -0.328272D-01  0.129489D+01 -0.120461D+01  0.116190D+01  0.105888D+01
      2   0.688977D+00 -0.819040D+00 -0.304595D+01  0.182992D+01 -0.825736D+01
      3  -0.258719D+00 -0.931120D+01  0.612023D+01  0.456554D+01 -0.104440D+01
                71            72            73            74            75 
      1   0.195127D+01 -0.969561D-01 -0.243900D+01 -0.275692D+00  0.128165D+01
      2  -0.243726D+01  0.192149D+02  0.380259D+00  0.499327D+00  0.625624D+01
      3   0.343765D+01  0.661416D+00  0.135360D+02 -0.372689D+01  0.215195D+01
                76            77            78            79            80 
      1   0.641584D+00 -0.409629D+00 -0.628100D+01 -0.434621D+01  0.201780D+01
      2   0.657419D+00  0.274273D+01 -0.187530D+01 -0.362259D+01  0.394604D+01
      3   0.764378D+01 -0.136754D+02 -0.458505D+01  0.550444D+01 -0.646070D+01
                81            82            83            84            85 
      1  -0.184729D+01  0.100427D+01 -0.518406D+01 -0.172286D+01 -0.307151D+01
      2   0.126373D+01  0.273342D+01 -0.777365D+00 -0.204838D+01  0.734664D+00
      3  -0.208110D+00 -0.856504D+01 -0.153049D+01 -0.111409D+01  0.773784D+01
                86            87            88            89            90 
      1   0.480479D+01  0.531704D+01  0.763270D+01  0.185468D+02 -0.120361D+02
      2  -0.122383D+01  0.101937D+01 -0.406902D+01 -0.220084D+01  0.500163D+00
      3  -0.148554D+01  0.512296D+01  0.540052D-01  0.992757D+01 -0.907093D+00
                91            92            93            94            95 
      1  -0.880513D-01 -0.310424D+00 -0.234863D+01  0.317888D+00  0.192498D-01
      2   0.342874D+00  0.259942D+00  0.361980D+01 -0.689812D+00 -0.714739D+00
      3  -0.229664D+01 -0.592043D+01  0.550338D-01 -0.478630D+01 -0.101302D+02
                96            97            98            99           100 
      1  -0.272494D+01  0.121984D+01  0.133581D+01  0.155873D+00  0.198478D+00
      2   0.321182D+01 -0.171871D+01 -0.119548D+01 -0.124183D+00  0.158614D+01
      3   0.647068D+00  0.114698D+01  0.160172D+01  0.128031D+00  0.255188D+01
               101           102           103           104           105 
      1   0.384135D+00  0.116361D+01  0.402671D-01 -0.898882D-01 -0.726477D+00
      2  -0.279380D+00  0.603691D+01 -0.122112D+01  0.587276D+00 -0.166092D+01
      3  -0.590895D+01  0.181461D+00 -0.478737D+01  0.302616D+01 -0.541928D+00
               106           107           108           109           110 
      1  -0.705845D+00  0.493424D+00  0.584669D-01 -0.608481D+00  0.364516D+00
      2  -0.276567D+01  0.608016D+00  0.350206D+00 -0.808171D+00  0.793940D+00
      3   0.169326D+01 -0.949608D+00  0.110478D+00 -0.585643D+01  0.482016D+01
               111           112           113           114           115 
      1   0.632838D+00  0.556609D+00 -0.904643D+00 -0.419996D+01 -0.377172D+00
      2   0.126022D+00  0.112954D+01 -0.195198D+01  0.467464D+00 -0.129317D+01
      3  -0.688057D-01  0.823672D+01 -0.150129D+02  0.189244D+01 -0.375932D+00
               116           117           118           119           120 
      1   0.206545D+01  0.386994D+00  0.387451D-01 -0.380048D-01  0.128522D+01
      2   0.265048D+00  0.169111D+00  0.411399D+00 -0.395260D+00  0.109754D+01
      3   0.267267D+01 -0.131714D+00  0.164475D+01 -0.170134D+01  0.325198D+00
               121           122           123           124           125 
      1  -0.789208D-02 -0.291147D+00 -0.448376D+01 -0.126002D+00  0.187110D+01
      2  -0.157274D+00  0.234545D+01 -0.253579D+01 -0.114482D+01  0.301235D+00
      3   0.768480D+00  0.167868D+02 -0.213567D+01  0.493699D+00 -0.221195D+01
               126           127           128           129           130 
      1   0.462336D+00  0.203543D+01  0.899916D+00  0.127236D+01  0.937726D+00
      2   0.184895D+00  0.736889D+00 -0.792487D+00  0.298574D+01 -0.957206D+00
      3  -0.162030D+00 -0.209714D+01 -0.346197D+01 -0.135692D+01 -0.187067D+01
               131           132           133           134           135 
      1  -0.421148D+00 -0.162829D+01  0.195623D+01  0.124363D+01  0.697143D+01
      2   0.340072D+00 -0.121398D+01  0.347746D+00 -0.983239D+00  0.113584D+02
      3   0.960497D+00 -0.123124D+01 -0.331188D+01 -0.763593D+00 -0.335349D+00
               136           137           138           139           140 
      1  -0.418327D+01 -0.139503D+01  0.490230D+01  0.649399D+00 -0.113059D+02
      2  -0.541718D+01  0.253072D+01  0.500109D+01  0.197644D+01 -0.474463D+01
      3   0.146448D+02 -0.188145D+02  0.288989D+01 -0.105723D+02 -0.879588D+01
               141           142           143           144           145 
      1  -0.175900D+01  0.240619D+01  0.418430D+01  0.137952D+02 -0.156637D+00
      2  -0.459323D+00  0.526650D+00  0.111082D+01  0.114134D+02  0.482264D+01
      3   0.736128D+01  0.203145D+01  0.696635D+01 -0.447578D+01  0.469406D+01
               146           147           148           149           150 
      1   0.319983D+00 -0.733966D-02 -0.114172D+00 -0.128349D+00 -0.737714D+00
      2  -0.121346D+00  0.631805D+01 -0.455052D+00  0.112441D+01 -0.427643D+00
      3  -0.731821D+01  0.585771D+00 -0.236493D+01  0.226106D+01 -0.133897D+01
               151           152           153           154           155 
      1  -0.465194D+00  0.863137D+00 -0.156566D+00  0.197332D-01  0.489950D+00
      2   0.369316D+01 -0.746105D-01  0.136442D+01 -0.192247D+01  0.142476D+00
      3   0.651446D+00 -0.332115D+01  0.371342D+00  0.142961D+01  0.123994D+01
               156           157           158           159           160 
      1   0.329971D-01  0.291633D-01  0.166246D+00 -0.919662D+00 -0.702416D+00
      2   0.301024D+00  0.973942D+00 -0.270612D+01  0.595745D+00  0.206423D+01
      3  -0.367372D+00  0.188420D+01 -0.388708D+00  0.245935D+01 -0.948218D+00
               161           162           163           164           165 
      1   0.452295D+01  0.139026D+01 -0.127394D+01  0.174365D+01  0.107973D+01
      2   0.994979D+00 -0.195903D+02 -0.206071D+00 -0.679711D+00  0.938328D+00
      3   0.621754D+01  0.594415D+00 -0.281711D+01  0.995146D+00  0.263733D+01
               166           167           168           169           170 
      1  -0.336368D+00 -0.641361D+01 -0.652888D+01 -0.860017D+00 -0.603041D+01
      2  -0.477387D+00  0.150158D+01  0.456744D+00 -0.675331D+00  0.791869D+00
      3   0.534064D+01 -0.605627D+01 -0.274195D+01  0.390307D+01 -0.411081D+01
               171           172           173           174           175 
      1  -0.429016D+01  0.300764D+01  0.885014D+00 -0.215964D+01  0.161741D+01
      2   0.726948D+00  0.127897D+01  0.562291D+00  0.114997D+01  0.393552D+00
      3  -0.172678D+01  0.458729D+01  0.765311D+00 -0.302721D+01  0.173497D+01
               176           177           178           179           180 
      1   0.296004D+01 -0.489819D+01 -0.371639D+01 -0.796942D+01  0.166272D+02
      2  -0.605216D+00  0.860799D+00 -0.216104D+01  0.130274D+01 -0.245603D+01
      3  -0.133282D+01  0.496499D-01 -0.797642D+01 -0.212566D+01 -0.576188D+00
               181           182           183           184           185 
      1  -0.143142D+01  0.389870D+00 -0.302463D+01  0.796595D-01 -0.150866D+01
      2  -0.222688D+01 -0.354922D+00 -0.197244D+01  0.169983D+00 -0.797282D+00
      3   0.735094D+00  0.173244D+01  0.198717D+01  0.133274D+01  0.914630D+00
               186           187           188           189           190 
      1  -0.405263D+00 -0.368071D+00  0.592413D+00 -0.176591D+02  0.779131D+00
      2   0.313481D+00 -0.373112D+01 -0.226663D+01 -0.136314D+02  0.364779D+01
      3   0.750925D+00  0.300110D+01  0.268882D+01  0.362705D+01 -0.191727D+02
               191           192           193           194           195 
      1  -0.297743D+00  0.341652D+01 -0.353743D+00  0.118998D+01 -0.121371D+01
      2  -0.598479D+00  0.525991D+01 -0.968673D+00  0.100203D+01 -0.862504D+00
      3  -0.939418D-02 -0.789109D+00  0.331791D+01 -0.278862D+00 -0.983951D+00
               196           197           198           199           200 
      1   0.182106D+01 -0.257840D+00 -0.447732D+00  0.226512D+01  0.146064D+01
      2   0.108225D+01 -0.716678D+00 -0.292183D+00  0.906824D+00 -0.143336D+00
      3  -0.167271D+01 -0.122196D+01 -0.102559D+01  0.780703D+01  0.751656D+01
               201           202           203           204           205 
      1  -0.339095D+01  0.173577D+01  0.547225D+01 -0.572543D+01 -0.164754D+01
      2  -0.559315D+00  0.391161D+00  0.140945D+01 -0.114321D+01 -0.180695D+01
      3  -0.290885D+01  0.995467D+01  0.171612D+02 -0.419182D+01 -0.448008D+01
               206           207 
      1  -0.244914D+01  0.187832D+01
      2  -0.134616D+01  0.456529D+00
      3  -0.510176D+01  0.406494D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.200409D+00 -0.198186D+02  0.170438D+01  0.333097D+02  0.326646D+01
      2  -0.377011D+01  0.139340D+02  0.182273D+01 -0.317000D+02 -0.769626D+01
      3   0.356970D+01  0.588464D+01 -0.352712D+01 -0.160964D+01  0.442980D+01
      4  -0.177667D+02  0.142115D+02 -0.382910D+01  0.248647D+01 -0.155195D+02
      5   0.314316D+00 -0.427526D+01  0.107267D+02  0.393667D+01  0.776730D+01
      6  -0.134624D+01 -0.109673D+01  0.981994D+01  0.598678D+01  0.315397D+01
                 6             7             8             9            10 
      1   0.950377D+00 -0.903902D+01 -0.179977D+01  0.812061D+01 -0.353490D+01
      2  -0.158238D+01  0.959491D+01  0.385999D+01 -0.131465D+02 -0.841725D-01
      3   0.632004D+00 -0.555886D+00 -0.206022D+01  0.502589D+01  0.361907D+01
      4   0.766787D+01  0.363798D+00  0.755946D+01  0.164440D+02  0.705866D+01
      5   0.161491D+02  0.288691D+02  0.176153D+02 -0.634054D+01 -0.601450D+01
      6   0.297262D+01  0.100202D+02  0.127800D+02  0.144268D+01  0.682801D+00
                11            12            13            14            15 
      1   0.435513D+01 -0.440746D+01 -0.190798D+02 -0.223326D+02  0.549685D+01
      2  -0.128187D+01  0.144036D+01  0.172262D+02  0.223108D+02 -0.697607D+01
      3  -0.307326D+01  0.296711D+01  0.185360D+01  0.218475D-01  0.147921D+01
      4   0.244393D+02  0.338037D+00 -0.244715D+02  0.124072D+02 -0.484365D+01
      5   0.306167D-01  0.200605D+02  0.883768D+01 -0.624751D+01 -0.729229D+01
      6  -0.448615D+00 -0.416428D+01 -0.433976D+01 -0.284049D+01 -0.518580D+01
                16            17            18            19            20 
      1  -0.284390D+01  0.740977D+01  0.176076D+02  0.104177D+02  0.365519D+01
      2  -0.164215D+01 -0.548830D+01 -0.214256D+02 -0.711036D+01 -0.631580D+01
      3   0.448604D+01 -0.192147D+01  0.381791D+01 -0.330731D+01  0.266060D+01
      4   0.105796D+02 -0.177472D+01 -0.443052D+01  0.775701D+01 -0.255594D+02
      5   0.389663D+02 -0.700910D+01  0.721054D+01 -0.144344D+01  0.294596D+01
      6  -0.276261D+01  0.612357D+01  0.279434D+01  0.392267D+00 -0.162570D+01
                21            22            23            24            25 
      1   0.842556D+00  0.698365D+01  0.438587D+01 -0.382075D+01 -0.600362D+00
      2  -0.218851D+01  0.362706D+00 -0.107059D+02  0.546493D+01 -0.258677D+00
      3   0.134595D+01 -0.734636D+01  0.631998D+01 -0.164418D+01  0.859039D+00
      4   0.290130D+01  0.173432D+02  0.111430D+02  0.570562D+00 -0.308265D+01
      5  -0.622787D+01 -0.289748D+01  0.840892D+00  0.491383D+01  0.164744D+01
      6  -0.713499D+01 -0.142802D+01  0.796001D+01  0.743250D+01 -0.402342D+00
                26            27            28            29            30 
      1  -0.198470D+01 -0.150343D+02 -0.340920D+02  0.100263D+02 -0.629910D+00
      2   0.665984D+01  0.224609D+01  0.163794D+02 -0.274279D+01  0.440361D+00
      3  -0.467514D+01  0.127882D+02  0.177125D+02 -0.728349D+01  0.189549D+00
      4  -0.122808D+01  0.102796D+02 -0.936766D+01  0.621750D+01 -0.297373D+01
      5   0.102503D+02 -0.602099D+01  0.545518D+01 -0.216599D+01 -0.208401D+01
      6   0.153639D+02 -0.415975D+01 -0.225234D+01  0.478397D+00 -0.207530D+01
                31            32            33            34            35 
      1   0.115459D+02  0.112001D+01 -0.184517D+01 -0.587745D+01 -0.168098D+01
      2  -0.411295D+01  0.454341D+01  0.180096D+00  0.287395D+01  0.321547D+01
      3  -0.743290D+01 -0.566341D+01  0.166507D+01  0.300350D+01 -0.153449D+01
      4  -0.613697D+01  0.508248D+01 -0.250559D+01  0.172501D+01 -0.416817D+01
      5   0.263011D+00 -0.120148D+01 -0.500003D+00  0.140795D+01  0.806316D+00
      6  -0.138751D+01 -0.335084D+00  0.275833D-02 -0.217444D+01  0.453606D+01
                36            37            38            39            40 
      1  -0.104716D+02 -0.123358D+02 -0.270349D+02  0.418398D+01 -0.175750D+02
      2  -0.198592D+01  0.120569D+02  0.187016D+02 -0.313490D+01  0.598896D+01
      3   0.124575D+02  0.278874D+00  0.833337D+01 -0.104908D+01  0.115861D+02
      4  -0.160561D+01 -0.774386D+01 -0.133799D+01 -0.286541D+00  0.105608D+01
      5  -0.681737D+00 -0.133766D+01 -0.216341D+01 -0.166260D+01 -0.626388D+00
      6  -0.386846D+00 -0.295708D+01 -0.239195D+01  0.235376D+01  0.151979D+01
                41            42            43            44            45 
      1  -0.123874D+02 -0.110657D+01  0.218625D+01 -0.358208D+01 -0.143275D+02
      2   0.123748D+02 -0.122225D+01 -0.295182D+01  0.341534D+01  0.298357D+01
      3   0.125418D-01  0.232882D+01  0.765568D+00  0.166739D+00  0.113439D+02
      4  -0.915259D+01  0.441176D+00  0.117320D+01 -0.248882D+01 -0.865489D+00
      5  -0.595116D+00 -0.786574D+00  0.907598D+00 -0.281853D+01 -0.803076D+00
      6  -0.636587D+00  0.918236D+00  0.287110D+01  0.109428D+02 -0.707794D+00
                46            47            48            49            50 
      1   0.100819D+02  0.213492D+02 -0.260532D+00 -0.224351D+02  0.142107D+02
      2  -0.100675D+02 -0.152554D+02  0.175192D+01  0.193552D+02 -0.221046D+02
      3  -0.143872D-01 -0.609387D+01 -0.149139D+01  0.307993D+01  0.789396D+01
      4   0.102164D+02 -0.166923D+02  0.380569D+01  0.126023D+02 -0.122567D+01
      5  -0.344180D+00  0.524885D+01 -0.383507D+01 -0.705814D+00 -0.318461D+01
      6   0.398218D+01 -0.120701D+01  0.142417D+01 -0.316838D+01  0.768514D+01
                51            52            53            54            55 
      1  -0.231736D+01  0.395354D+01  0.168112D+01 -0.571370D+01  0.204203D+02
      2   0.508296D+01 -0.571335D+01  0.332301D+01 -0.436818D+01 -0.707719D+01
      3  -0.276561D+01  0.175982D+01 -0.500413D+01  0.100819D+02 -0.133431D+02
      4  -0.364161D+01  0.209356D+01 -0.685593D+01 -0.160007D+02 -0.383927D+01
      5  -0.119777D+02  0.104145D+02 -0.162013D+02  0.547017D+01 -0.255135D+01
      6   0.763384D+01 -0.545812D+01  0.142299D+02 -0.106390D+01  0.308787D+01
                56            57            58            59            60 
      1  -0.141624D+02  0.322146D+00 -0.180642D+02 -0.824451D+00  0.400178D+01
      2   0.126884D+02  0.622287D+00  0.170083D+02 -0.316408D+01 -0.777175D+01
      3   0.147393D+01 -0.944432D+00  0.105595D+01  0.398853D+01  0.376997D+01
      4  -0.929347D+01  0.205261D+01 -0.153855D+02  0.111051D+02  0.799178D+01
      5   0.230782D+01 -0.754631D+01  0.257433D+01  0.840606D+01  0.314867D+01
      6   0.244966D+01  0.468968D+01  0.387998D+01 -0.862535D+01 -0.500039D+01
                61            62            63            64            65 
      1   0.117433D+02  0.131482D+01  0.630984D+01 -0.490721D+02  0.963208D+01
      2   0.679431D+01 -0.129751D+02  0.549254D+01  0.273191D+02 -0.709152D+01
      3  -0.185377D+02  0.116603D+02 -0.118024D+02  0.217529D+02 -0.254056D+01
      4   0.637569D-01  0.998680D+01  0.834620D+01  0.981125D+01  0.671128D+01
      5  -0.120383D+02  0.665665D+01 -0.284577D+02 -0.139580D+02  0.735318D+00
      6   0.918004D+01 -0.409448D+01  0.152244D+02 -0.684608D+00 -0.151978D+01
                66            67            68            69            70 
      1  -0.988648D+01  0.198649D+02  0.132337D+02 -0.404172D+00 -0.147133D+02
      2   0.533943D+01 -0.138535D+02 -0.146378D+02  0.357969D+01  0.197557D+01
      3   0.454705D+01 -0.601139D+01  0.140408D+01 -0.317551D+01  0.127377D+02
      4   0.435632D+00  0.107833D+01 -0.238420D+01 -0.721262D+01 -0.253261D+01
      5  -0.157678D+01 -0.473585D+01 -0.773801D+01  0.533191D+01 -0.109812D+02
      6   0.304372D+00 -0.295232D+01 -0.190317D+01 -0.480968D+01 -0.251253D+01
                71            72            73            74            75 
      1   0.820261D+00  0.656282D+00  0.258254D+02  0.799761D+01 -0.145892D+00
      2   0.173515D+00  0.141622D+02 -0.144075D+02 -0.397762D+01 -0.191234D+01
      3  -0.993776D+00 -0.148184D+02 -0.114179D+02 -0.401999D+01  0.205823D+01
      4  -0.286274D+01 -0.391826D+01  0.149498D+02  0.142948D+02  0.659922D+01
      5  -0.240369D+01  0.366912D+02  0.780024D+01  0.386607D+01  0.108337D+02
      6  -0.683078D+00  0.319990D+01  0.587798D+01  0.569659D+01 -0.433858D+01
                76            77            78            79            80 
      1  -0.705708D+01 -0.117425D+02 -0.197665D+01  0.102263D+02 -0.843864D+00
      2   0.788101D+01  0.206173D+02  0.556191D+00 -0.666816D+01  0.255713D+01
      3  -0.823930D+00 -0.887489D+01  0.142045D+01 -0.355813D+01 -0.171327D+01
      4   0.138010D+02  0.188443D+02  0.679702D+01  0.713872D+01  0.780319D+01
      5   0.449434D+01  0.596429D+01 -0.370677D+01  0.114617D+02  0.721134D+01
      6   0.955543D+00  0.606808D+01  0.109523D+02  0.661737D+01  0.124890D+02
                81            82            83            84            85 
      1  -0.768919D+01 -0.124789D+02 -0.685993D+01 -0.336388D+01  0.120134D+02
      2  -0.422871D+01  0.875453D+01  0.132944D+02  0.653254D+01 -0.788845D+01
      3   0.119179D+02  0.372442D+01 -0.643443D+01 -0.316866D+01 -0.412499D+01
      4   0.959548D+01 -0.103433D+01 -0.611173D+01 -0.369727D+01  0.123848D+01
      5   0.220172D+01 -0.547240D+00 -0.116147D+01 -0.786674D+01  0.277677D+01
      6   0.340238D+01 -0.235567D+01  0.536799D+01  0.357032D+01  0.703914D+01
                86            87            88            89            90 
      1   0.368862D+02  0.203570D+01 -0.170578D+02 -0.622693D+01  0.281750D+02
      2  -0.408908D+02 -0.940745D+01  0.123931D+02 -0.731686D+01 -0.182180D+02
      3   0.400458D+01  0.737175D+01  0.466473D+01  0.135438D+02 -0.995702D+01
      4   0.286130D+01  0.380787D+01  0.305480D+01  0.525189D+01 -0.867866D+01
      5   0.329974D+01 -0.280196D+01 -0.596792D+01 -0.955263D+01  0.893006D+01
      6  -0.712369D+01 -0.156165D+02 -0.120185D+02 -0.350714D+02  0.276731D+02
                91            92            93            94            95 
      1   0.391328D+02  0.211090D+02 -0.180347D+01  0.173934D+02  0.117846D+02
      2  -0.133497D+02 -0.391967D+01  0.808871D+00  0.119315D+01  0.756216D+01
      3  -0.257831D+02 -0.171894D+02  0.994595D+00 -0.185865D+02 -0.193468D+02
      4   0.430061D+02  0.330911D+02 -0.208852D+01  0.388367D+02  0.410041D+02
      5  -0.335432D+01 -0.191060D+01  0.667542D+01 -0.406880D+01 -0.378237D+01
      6  -0.459015D+00 -0.428139D+00  0.305864D+01 -0.188741D+01 -0.187989D+01
                96            97            98            99           100 
      1  -0.142128D+01  0.444380D-01 -0.480447D+00  0.285712D-01  0.989373D+02
      2   0.475141D+00 -0.110091D+01 -0.794294D+00  0.836086D+00 -0.558346D+02
      3   0.946139D+00  0.105647D+01  0.127474D+01 -0.864657D+00 -0.431027D+02
      4  -0.374091D+01 -0.286182D+01 -0.380913D+01  0.180698D+01 -0.256106D+02
      5   0.495927D+01  0.983761D+00  0.379423D+00 -0.420080D+00  0.104831D+02
      6   0.462583D+01  0.580050D+00  0.116595D+01 -0.883480D+00  0.162323D+00
               101           102           103           104           105 
      1  -0.177715D+02  0.681054D+01 -0.168513D+02  0.122252D+02 -0.223243D+01
      2   0.903362D+01 -0.458584D+01  0.770597D+01 -0.538069D+01  0.166048D+01
      3   0.873789D+01 -0.222470D+01  0.914535D+01 -0.684447D+01  0.571951D+00
      4   0.133141D+02 -0.176323D+01  0.199383D+02 -0.920932D+01  0.180010D+01
      5  -0.194918D+01  0.103090D+02 -0.402311D+01  0.205001D+01 -0.247466D+01
      6   0.349327D+00 -0.127244D+01  0.105994D+01 -0.402157D+00  0.209959D+01
               106           107           108           109           110 
      1   0.884056D+01 -0.314624D+01  0.202380D+01 -0.410016D+01  0.486860D+01
      2  -0.485850D+01  0.190181D+01 -0.100736D+01  0.543619D+01 -0.461589D+01
      3  -0.398206D+01  0.124443D+01 -0.101643D+01 -0.133603D+01 -0.252707D+00
      4  -0.428211D+01  0.201811D+01 -0.131448D+01 -0.603595D+00  0.641718D+01
      5   0.178465D+01 -0.341116D+00  0.130536D+01 -0.566973D+00 -0.143176D+00
      6  -0.261615D+00  0.748272D+00 -0.583423D+00 -0.638388D+00  0.122061D+01
               111           112           113           114           115 
      1  -0.122336D+01  0.484177D+01 -0.336784D+02  0.576242D+01 -0.719339D+00
      2   0.641454D+00 -0.513701D+01  0.465600D+02 -0.560368D+01  0.590231D+00
      3   0.581910D+00  0.295248D+00 -0.128817D+02 -0.158745D+00  0.129108D+00
      4  -0.279144D+00  0.518740D+01  0.131561D+02 -0.263199D+01 -0.394331D+00
      5   0.117696D+01 -0.193397D+00 -0.336252D+01  0.156428D+01  0.683714D+00
      6  -0.638026D+00  0.483228D+00 -0.994322D+01  0.780365D+01 -0.260908D+00
               116           117           118           119           120 
      1   0.542473D+01 -0.215685D+01  0.300184D+01 -0.342481D+01  0.380758D+00
      2  -0.687626D+01  0.247109D+01  0.280930D+01 -0.350794D+01  0.563829D-01
      3   0.145153D+01 -0.314241D+00 -0.581114D+01  0.693275D+01 -0.437141D+00
      4  -0.175718D+01 -0.817662D+00 -0.129755D+02  0.177401D+02 -0.251365D+01
      5  -0.102898D+00  0.492922D+00  0.205678D+01 -0.264581D+01  0.310004D+01
      6   0.364875D+01 -0.200864D+01 -0.149431D+01  0.190685D+01 -0.198363D+01
               121           122           123           124           125 
      1   0.536461D+00 -0.197410D+02  0.275404D+01 -0.151353D-02  0.206426D+01
      2  -0.854240D+01  0.399280D+02 -0.361192D+01  0.130011D+01 -0.410436D+01
      3   0.800594D+01 -0.201870D+02  0.857877D+00 -0.129860D+01  0.204011D+01
      4   0.201194D+02 -0.448853D+02  0.577425D+01 -0.370317D+01  0.665210D+01
      5  -0.277158D+01  0.583730D+01 -0.452646D+01  0.121046D+01 -0.126344D+01
      6   0.280179D+01 -0.848013D+01  0.780374D+01 -0.140166D+01  0.364962D+01
               126           127           128           129           130 
      1  -0.197723D+01  0.299768D+01  0.130131D+01  0.240971D+01  0.291868D+01
      2   0.271556D+01 -0.643360D+01 -0.144741D+01 -0.400147D+01 -0.337801D+01
      3  -0.738333D+00  0.343592D+01  0.146102D+00  0.159175D+01  0.459329D+00
      4  -0.157017D+01 -0.250405D+01  0.609550D+01 -0.334152D+01  0.812933D+01
      5   0.832683D+00  0.878377D+01 -0.223174D+01  0.131244D+02 -0.190724D+01
      6  -0.222514D+01 -0.425515D+01  0.820101D+00 -0.315730D+01  0.178755D+01
               131           132           133           134           135 
      1  -0.430652D+01  0.153016D+01 -0.186988D+01  0.423133D+01 -0.149480D+02
      2   0.211743D+01 -0.915666D+00 -0.760794D+01 -0.169449D+00 -0.164986D+02
      3   0.218909D+01 -0.614495D+00  0.947781D+01 -0.406189D+01  0.314466D+02
      4  -0.641227D+01  0.355415D+01 -0.709440D+01  0.612758D+01 -0.617370D+01
      5   0.332741D+01 -0.294528D+01  0.177516D+02 -0.607890D+01  0.304852D+02
      6  -0.219296D+01  0.857647D+01 -0.778976D+01  0.729700D+01 -0.184450D+02
               136           137           138           139           140 
      1  -0.317021D+02  0.279752D+02 -0.148564D+01  0.239586D+02  0.698552D+01
      2   0.651361D+01 -0.263793D+02  0.555843D+01 -0.250743D+02 -0.104181D+02
      3   0.251885D+02 -0.159591D+01 -0.407279D+01  0.111572D+01  0.343261D+01
      4   0.388583D+02 -0.665085D+01  0.239281D+01  0.479172D+01 -0.140074D+02
      5  -0.538764D+00 -0.188491D+01  0.681722D+01 -0.114792D+01 -0.114945D+02
      6   0.501927D+01 -0.571904D+00 -0.808943D+01 -0.243719D+01  0.185713D+02
               141           142           143           144           145 
      1  -0.107759D+02 -0.310307D+01 -0.938368D+01  0.136741D+02  0.795094D+02
      2   0.167636D+02  0.133948D+00  0.202972D+02  0.374126D+01 -0.454276D+02
      3  -0.598771D+01  0.296912D+01 -0.109136D+02 -0.174154D+02 -0.340818D+02
      4  -0.783291D+01  0.684371D+01 -0.117045D+02 -0.825871D+01  0.116584D+00
      5  -0.308847D+00  0.685487D+01 -0.132532D+01  0.165767D+02  0.108964D+02
      6   0.353503D+01 -0.792873D+01  0.165963D+01 -0.231769D+02  0.855896D+00
               146           147           148           149           150 
      1  -0.420290D+01  0.932538D+01 -0.102078D+02  0.668379D+01 -0.444285D+00
      2   0.283397D+01 -0.540281D+01  0.608108D+01 -0.221310D+01  0.831382D+00
      3   0.136893D+01 -0.392257D+01  0.412670D+01 -0.447069D+01 -0.387098D+00
      4   0.942896D+01  0.535772D-01  0.115738D+02 -0.250859D+01  0.244661D+01
      5  -0.326881D+00  0.104847D+02 -0.821480D+00  0.278802D+01 -0.650519D+00
      6   0.405354D+00  0.345997D+00  0.561019D+00  0.243260D+00  0.153214D+01
               151           152           153           154           155 
      1   0.160926D+02 -0.923144D+00  0.814638D+01  0.757953D+01 -0.346908D+00
      2  -0.102766D+02  0.894596D+00 -0.739445D+01 -0.633760D+01  0.170645D+00
      3  -0.581600D+01  0.285474D-01 -0.751933D+00 -0.124193D+01  0.176262D+00
      4  -0.337241D+00  0.395484D+01  0.171344D+00  0.532150D+00 -0.792395D+00
      5   0.138555D+02 -0.423839D+00  0.427351D+01 -0.525889D+01 -0.196692D+00
      6   0.481567D+00  0.965368D+00 -0.988068D-01 -0.832594D+00 -0.468347D-01
               156           157           158           159           160 
      1  -0.452520D+01 -0.189408D+00 -0.331698D+01  0.159469D+01 -0.802855D+01
      2   0.269099D+01  0.417200D+00  0.707042D+00 -0.603849D+00  0.111977D+02
      3   0.183421D+01 -0.227792D+00  0.260994D+01 -0.990840D+00 -0.316914D+01
      4  -0.965990D+00  0.280165D+01  0.125433D+01 -0.483799D+01 -0.150952D+01
      5   0.382198D+01 -0.360829D-01 -0.465551D+01  0.128804D+01  0.181435D+02
      6   0.168738D+00 -0.156953D+01 -0.146510D+01  0.732282D+01  0.213828D+01
               161           162           163           164           165 
      1   0.645727D+00 -0.453212D+01 -0.120465D+01  0.935037D+01  0.348091D+01
      2  -0.826171D+00 -0.201133D+02  0.375024D+01 -0.134614D+02 -0.335469D+01
      3   0.180444D+00  0.246454D+02 -0.254559D+01  0.411103D+01 -0.126212D+00
      4  -0.790840D+01  0.288423D+01 -0.260359D+01  0.885740D+01  0.314407D+01
      5   0.138537D+01 -0.381894D+02 -0.143868D+00  0.118017D+01  0.252347D+01
      6   0.430978D+01 -0.598694D+01  0.406951D+01 -0.414053D+01 -0.191643D+01
               166           167           168           169           170 
      1  -0.727656D+00 -0.395853D+02 -0.983094D+01  0.217113D+01 -0.167140D+02
      2   0.794910D+00  0.580094D+02  0.144057D+02 -0.775272D+00  0.230528D+02
      3  -0.672532D-01 -0.184241D+02 -0.457475D+01 -0.139586D+01 -0.633882D+01
      4   0.636792D+01  0.201272D+01 -0.237898D+00  0.383582D+01  0.447816D+00
      5   0.665699D+00  0.114089D+01  0.148997D+01  0.239986D+01  0.233696D+01
      6  -0.297843D+00  0.179675D+02  0.126268D+02  0.187762D+01  0.194237D+02
               171           172           173           174           175 
      1  -0.126240D+02  0.213142D+00 -0.109932D+00  0.686357D+00 -0.318109D+01
      2   0.121368D+02 -0.168596D+01 -0.409925D+00  0.450435D+00  0.382538D+01
      3   0.487171D+00  0.147282D+01  0.519858D+00 -0.113679D+01 -0.644287D+00
      4   0.791306D+00  0.527269D+01  0.695350D+01 -0.558538D+01  0.400554D+01
      5  -0.629086D-01 -0.414444D+01 -0.370353D+01  0.822269D+01 -0.198816D+01
      6   0.964193D+01 -0.685696D+01 -0.370588D+01  0.480336D+01 -0.382446D+01
               176           177           178           179           180 
      1  -0.189367D+02  0.894277D+01  0.519405D+01  0.224116D+02 -0.271419D+02
      2   0.201528D+02 -0.811902D+01 -0.301471D+01 -0.152485D+02  0.855119D+01
      3  -0.121610D+01 -0.823746D+00 -0.217934D+01 -0.716309D+01  0.185907D+02
      4   0.599318D+01 -0.411295D+01 -0.952957D+01 -0.822625D+01  0.780632D+01
      5  -0.414456D+01  0.335004D+01  0.787479D+01  0.916373D+01 -0.120260D+02
      6  -0.140641D+02  0.143083D+02  0.929180D+01  0.306039D+02 -0.376065D+02
               181           182           183           184           185 
      1   0.912248D+00 -0.481153D+01 -0.522007D+01 -0.158798D+01 -0.407599D+01
      2  -0.161235D+01  0.495975D+01  0.148390D+00  0.141813D+01  0.279606D+01
      3   0.700104D+00 -0.148221D+00  0.507168D+01  0.169854D+00  0.127993D+01
      4  -0.167049D+01  0.580936D+00  0.283828D+01  0.864860D-01  0.143079D+01
      5  -0.104195D+01  0.299877D+00  0.365764D+00 -0.499754D+00 -0.625248D+00
      6   0.261149D+01  0.200064D+01  0.564341D+01  0.344421D+00  0.175493D+01
               186           187           188           189           190 
      1  -0.130723D+01 -0.403843D+01 -0.663285D+01 -0.195144D+02  0.516373D+02
      2   0.284739D+01  0.981651D+00  0.600745D+01 -0.794930D+01 -0.163685D+02
      3  -0.154017D+01  0.305678D+01  0.625399D+00  0.274637D+02 -0.352689D+02
      4  -0.106838D+01  0.710179D+01 -0.610430D+01  0.194455D+00 -0.554641D+02
      5   0.811600D+00  0.540039D+01 -0.456290D+01 -0.215498D+02 -0.504272D+01
      6   0.433590D+01 -0.498081D+00  0.110796D+02  0.328332D+02  0.344361D+00
               191           192           193           194           195 
      1  -0.119260D+02  0.170185D+01 -0.564768D+01  0.302886D+01  0.754119D+00
      2  -0.364199D+01 -0.546682D+00 -0.309287D+01  0.561362D+01 -0.160962D+01
      3   0.155680D+02 -0.115517D+01  0.874055D+01 -0.864248D+01  0.855505D+00
      4   0.302539D+02 -0.131251D+00  0.175624D+02 -0.125499D+02  0.922851D+00
      5   0.219128D+01  0.909750D+01  0.895228D+00  0.535075D+00 -0.159497D+01
      6  -0.200360D+01 -0.647877D+01 -0.798144D+00 -0.735872D+00  0.208633D+01
               196           197           198           199           200 
      1   0.345221D+01  0.916309D+00  0.288132D+01 -0.238788D+01 -0.145821D+02
      2  -0.120710D+01 -0.314915D+01 -0.236265D+01  0.656823D+01  0.201479D+02
      3  -0.224511D+01  0.223284D+01 -0.518663D+00 -0.418035D+01 -0.556584D+01
      4  -0.426780D+01  0.333789D+01 -0.478916D+01  0.103125D+01  0.132299D+01
      5   0.862184D+01 -0.338643D+01 -0.591150D-01  0.131394D+01  0.137379D+01
      6  -0.502977D+01  0.340610D+01  0.946944D+00 -0.295359D+01 -0.150884D+01
               201           202           203           204           205 
      1   0.219060D+01 -0.904640D+01 -0.318777D+02  0.671240D+01  0.344457D+01
      2  -0.372097D+01  0.100899D+02  0.519077D+02 -0.105291D+02 -0.230390D+01
      3   0.153037D+01 -0.104346D+01 -0.200300D+02  0.381667D+01 -0.114067D+01
      4  -0.168477D+01  0.695632D+01 -0.110133D+02  0.170772D+01 -0.437857D+01
      5  -0.171170D+01  0.197932D+01  0.507444D+01 -0.344062D+01 -0.283350D+00
      6   0.506678D+01 -0.151317D+01 -0.735528D+01  0.887241D+01  0.286753D+01
               206           207 
      1   0.953137D+01 -0.804540D+01
      2  -0.153572D+02  0.680957D+01
      3   0.582578D+01  0.123583D+01
      4   0.574853D+01  0.103244D+00
      5  -0.290893D+01  0.956740D+00
      6   0.891824D+01 -0.440463D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.443405D+00      0.112702D+01      0.375935D+01
   x          0.145743D+00      0.370443D+00      0.123566D+01
   y          0.325034D+00      0.826155D+00      0.275576D+01
   z          0.264045D+00      0.671136D+00      0.223867D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114717D+03      0.169993D+02      0.189143D+02
   aniso      0.580258D+02      0.859853D+01      0.956716D+01
   xx         0.140762D+03      0.208588D+02      0.232085D+02
   yx        -0.306459D+01     -0.454125D+00     -0.505282D+00
   yy         0.125808D+03      0.186429D+02      0.207430D+02
   zx         0.749567D+00      0.111074D+00      0.123587D+00
   zy        -0.470672D+01     -0.697465D+00     -0.776034D+00
   zz         0.775811D+02      0.114963D+02      0.127914D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.122763D+03      0.181916D+02      0.202409D+02
   aniso      0.593815D+02      0.879943D+01      0.979069D+01
   xx         0.149969D+03      0.222231D+02      0.247265D+02
   yx        -0.257358D+01     -0.381365D+00     -0.424326D+00
   yy         0.133492D+03      0.197815D+02      0.220099D+02
   zx         0.815447D+00      0.120837D+00      0.134449D+00
   zy        -0.457888D+01     -0.678520D+00     -0.754955D+00
   zz         0.848289D+02      0.125703D+02      0.139864D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.11940560          0.76234478          2.90068162
     6          4.96802066         -1.30344315          1.51646181
     6          1.75602990          1.78149465          2.40532750
     6          0.19153261          0.77300257          0.53553123
     6          1.06831974         -1.28817595         -0.86632251
     6          3.44019890         -2.31161053         -0.35704685
     6         -2.38850072          1.89753917         -0.02496951
     6         -3.93702916          0.06579958         -1.62691435
     8         -2.53572682         -0.84992042         -3.71311558
     6         -0.54501922         -2.44176174         -2.91633599
     1          5.29690753          1.57856270          4.36053134
     1          6.81083143         -2.11015173          1.88572780
     1          1.11963508          3.39052865          3.49460750
     1          4.09906380         -3.90930328         -1.45829771
     1         -2.09698021          3.60226998         -1.16552984
     6         -3.87681498          2.63116950          2.34225109
     1         -5.59990352          1.00474854         -2.39997143
     1         -4.58315355         -1.52474227         -0.45201327
     1          0.59442571         -2.83084029         -4.58924234
     1         -1.32301899         -4.25477654         -2.25274808
     1         -4.10278264          1.01084118          3.59991666
     1         -5.75565968          3.31266834          1.82604672
     1         -2.95041874          4.13141277          3.40391193

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.443405D+00      0.112702D+01      0.375935D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.443405D+00      0.112702D+01      0.375935D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114717D+03      0.169993D+02      0.189143D+02
   aniso      0.580258D+02      0.859853D+01      0.956716D+01
   xx         0.133531D+03      0.197873D+02      0.220164D+02
   yx        -0.156602D+02     -0.232060D+01     -0.258202D+01
   yy         0.105591D+03      0.156469D+02      0.174096D+02
   zx         0.139723D+02      0.207048D+01      0.230372D+01
   zy         0.204035D+02      0.302349D+01      0.336409D+01
   zz         0.105029D+03      0.155638D+02      0.173170D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.122763D+03      0.181916D+02      0.202409D+02
   aniso      0.593815D+02      0.879943D+01      0.979069D+01
   xx         0.142326D+03      0.210905D+02      0.234664D+02
   yx        -0.157203D+02     -0.232951D+01     -0.259193D+01
   yy         0.112867D+03      0.167251D+02      0.186092D+02
   zx         0.148227D+02      0.219649D+01      0.244393D+01
   zy         0.205308D+02      0.304235D+01      0.338507D+01
   zz         0.113097D+03      0.167592D+02      0.186472D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-28\Freq\RwB97XD\Gen\C10H12O1\PIERPA\08-Jul-2021\0\\#P
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 22977\H,3.245503,1.822195,-0.159561\H,3.856711,-0.553358,0.228132\H,0.
 889253,2.456036,-0.408732\H,2.081007,-2.265247,0.343936\H,-1.525132,0.
 979693,-1.399895\C,-1.71547,2.141812,0.391759\H,-3.260415,-0.130838,-0
 .17201\H,-2.217846,-0.344198,1.246196\H,-0.278754,-2.821206,-0.451456\
 H,-0.704522,-2.261367,1.170694\H,-1.47871,2.079067,1.45592\H,-2.786635
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 vA.03\State=1-A\HF=-463.7260091\RMSD=6.418e-09\RMSF=4.906e-06\ZeroPoin
 t=0.1974375\Thermal=0.206535\Dipole=0.1457435,0.3250343,0.2640454\Dipo
 leDeriv=-0.0077231,0.0536235,-0.0003502,0.0809165,0.0272189,-0.0156821
 ,-0.0081379,-0.0175381,-0.1431433,0.0448469,-0.0229569,0.0197562,-0.05
 30654,-0.0403348,-0.0235311,0.0250692,-0.0134065,-0.1367599,-0.1013902
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 126,-0.1087854,0.1788073,-0.109927,0.0372179,-0.1596034,-0.1183474,-0.
 0164643,0.1488487,-0.0220402,-0.0561621,-0.0741147,0.170944,-0.0263736
 ,0.1565179,0.0165247,-0.0106159,-0.0538205,-0.0048992,-0.0797217,-0.05
 33072,-0.0965437,0.0278821,-0.0547222,0.0823622,-0.0303285,-0.0041298,
 -0.0333375,-0.1192458,0.0528093,-0.0827817,-0.0112383,0.0217118,0.0474
 216,0.0102036,-0.0059491,0.0629873,0.1294893,0.4025839,-0.0243454,-0.0
 218175,-0.1247408,0.6179702,0.1103651,-0.1470119,0.0874255,0.3932469,-
 0.8074766,0.1442057,-0.0586583,0.2044604,-0.839488,-0.0588547,-0.04508
 8,-0.0769833,-0.4493229,0.7149679,-0.1332107,0.0847047,-0.1155621,0.35
 92289,-0.0587607,0.1643102,-0.0822117,0.4353125,-0.0350961,-0.082131,0
 .0045846,-0.0936361,-0.0182104,0.0167147,0.0029849,0.0164358,0.131262,
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 IT TAKES GREATER CHARACTER TO CARRY OFF GOOD FORTUNE THAN BAD.
                     FRENCH PROVERB.
 Job cpu time:       0 days 13 hours  4 minutes 28.9 seconds.
 Elapsed time:       0 days  0 hours 49 minutes  6.2 seconds.
 File lengths (MBytes):  RWF=    397 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 23:54:36 2021.
